CAS
139427-10-4 Purity
96%
139427-10-4 Purity
96%
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5,10,15,20-Tetraphenyl-21H,23H-porphine copper(II), 97%
CAS
14172-91-9
Catalog Number
ACM14172919
Category
Organic & Printed Electronics
Molecular Weight
678.298g/mol
Molecular Formula
C44H30CuN4+2;
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Specification
Synonyms
14172-91-9;5,10,15,20-Tetraphenyl-21H,23H-porphine copper(II);Copper, [5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-N(21)-,N(22)-,N(23)-,N(24)-]-;Copper (II) Tetraphenylporphyrin;CTK4C2771;BQWXRCGBXCQIAB-UHFFFAOYSA-N;KS-000019AG;AKOS030241505;AK552864;
IUPAC Name
copper;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin;
Canonical SMILES
C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)N3.[Cu+2];
InChI
InChI=1S/C44H30N4.Cu/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28,45,48H;/q;+2;
InChI Key
BQWXRCGBXCQIAB-UHFFFAOYSA-N;
Storage
2-8°C
Complexity
851
Covalently-Bonded Unit Count
2
EC Number
238-019-3
Exact Mass
677.177g/mol
Formal Charge
2
H-Bond Acceptor
2
H-Bond Donor
2
Heavy Atom Count
49
Monoisotopic Mass
677.177g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
57.4A^2
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