Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine

• CAS: 39049-43-9
• Catalog Number: ACM39049439
• Category: Organic & Printed Electronics
• Molecular Weight: 1002.57
• Molecular Formula: C₆₄H₅₆N₈Zn
• Synonyms: ZINC 2,11,20,29-TETRA-TERT-BUTYL-2,3-NAPHTHALOCYANINE;zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocya;Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine Dye content 90 %
• IUPAC Name: zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine
• Canonical SMILES: CC(C)(C)C1=C2C=CC=CC2=CC3=C4[N-]C(=C31)N=C5C6=CC7=CC=CC=C7C(=C6C(=N5)N=C8C9=CC1=CC=CC=C1C(=C9C(=NC1=NC(=N4)C2=C(C3=CC=CC=C3C=C21)C(C)(C)C)[N-]8)C(C)(C)C)C(C)(C)C.[Zn+2]
• InChI Key: JBGSEDYQNMZQKN-UHFFFAOYSA-N
• Melting Point: >300ºC(lit.)
• Exact Mass: 1000.39000

Custom Q&A

What is the molecular formula of Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine?

The molecular formula is C64H56N8Zn.

What is the molecular weight of Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine?

The molecular weight is 1002.6 g/mol.

What is the IUPAC name of Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine?

The IUPAC name is zinc;8,21,34,47-tetratert-butyl-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.1 3,14 .1 16,27 .1 29,40 .0 4,13 .0 6,11 .0 17,26 .0 19,24 .0 30,39 .0 32,37 .0 43,52 .0 45,50 ]hexapentaconta-1,3,5,7,9,11,13,15,17(26),18,20,22,24,27(55),28,30(39),31,33,35,37,40,42(53),43(52),44,46,48,50-heptacosaene.

What is the InChI of Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine?

The InChI is InChI=1S/C64H56N8.Zn/c1-61(2,3)41-17-13-33-25-45-49(29-37(33)21-41)57-65-53(45)70-58-51-31-39-23-43(63(7,8)9)19-15-35(39)27-47(51)55(67-58)72-60-52-32-40-24-44(64(10,11)12)20-16-36(40)28-48(52)56(68-60)71-59-50-30-38-22-42(62(4,5)6)18-14-34(38)26-46(50)54(66-59)69-57;/h13-32H,1-12H3;/q-2;+2.

How many hydrogen bond donor counts are there in Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine?

There are 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts are there in Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine?

There are 4 hydrogen bond acceptor counts.

How many rotatable bond counts are there in Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine?

There are 4 rotatable bond counts.

What is the exact mass of Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine?

The exact mass is 1000.391936 g/mol.

Is Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine a canonicalized compound?

Yes, Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine is a canonicalized compound.