copper;10,20-diphenyl-21,22-dihydroporphyrin

C32H22CuN4 — CID 175704794

IUPACcopper;10,20-diphenyl-21,22-dihydroporphyrin
SMILESC1=Cc2nc1cc1nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c2-c2ccccc2)[nH]3)C=C1.[Cu]
InChIInChI=1S/C32H22N4.Cu/c1-3-7-21(8-4-1)31-27-15-11-23(33-27)19-25-13-17-29(35-25)32(22-9-5-2-6-10-22)30-18-14-26(36-30)20-24-12-16-28(31)34-24;/h1-20,33,35H;/b23-19-,24-20-,25-19-,26-20-,31-27-,31-28-,32-29-,32-30-;
InChIKeyVVYDXGPFZHGQTL-RIEOGESVSA-N
MW526.10 g/mol
LogP7.99
Rot. Bonds2

About copper;10,20-diphenyl-21,22-dihydroporphyrin

copper;10,20-diphenyl-21,22-dihydroporphyrin (PubChem CID 175704794) has the molecular formula C32H22CuN4 and a molecular weight of 526.10 g/mol. Its IUPAC name is copper;10,20-diphenyl-21,22-dihydroporphyrin.

Molecular Properties

Compound Namecopper;10,20-diphenyl-21,22-dihydroporphyrin
PubChem CID175704794
Molecular FormulaC32H22CuN4
Molecular Weight526.10 g/mol
Exact Mass525.11
IUPAC Namecopper;10,20-diphenyl-21,22-dihydroporphyrin
SMILESC1=Cc2nc1cc1nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c2-c2ccccc2)[nH]3)C=C1.[Cu]
InChIInChI=1S/C32H22N4.Cu/c1-3-7-21(8-4-1)31-27-15-11-23(33-27)19-25-13-17-29(35-25)32(22-9-5-2-6-10-22)30-18-14-26(36-30)20-24-12-16-28(31)34-24;/h1-20,33,35H;/b23-19-,24-20-,25-19-,26-20-,31-27-,31-28-,32-29-,32-30-;
InChIKeyVVYDXGPFZHGQTL-RIEOGESVSA-N
XLogP7.99
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.10
LogP ≤ 57.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin
CID 101442381
10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin
CID 173159582
10,20-diphenyl-21,23-dihydroporphyrin-5-amine
CID 136859118
10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde
CID 135415239
5-[4-[4-(21,23-dihydroporphyrin-5-yl)phenyl]phenyl]-21,23-dihydroporphyrin
CID 136749783
2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline
CID 141332730
5,20-bis[2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl]-10,15-bis(4-methylphenyl)-21,23-dihydroporphyrin
CID 56653500
2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl-trimethylsilane
CID 173327875
(2S,3R)-5,15-diphenyl-2,3,22,24-tetrahydroporphyrin-2,3-diol
CID 102292008
2-(10-phenyl-21,23-dihydroporphyrin-5-yl)aniline
CID 141332732
10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin
CID 11497978
10-(2,2-dideuterioethenyl)-5,15-diphenyl-21,23-dihydroporphyrin
CID 135513055

Frequently Asked Questions

What is the IUPAC name of copper;10,20-diphenyl-21,22-dihydroporphyrin?
The IUPAC name of copper;10,20-diphenyl-21,22-dihydroporphyrin (CID 175704794) is copper;10,20-diphenyl-21,22-dihydroporphyrin.
What is the SMILES notation for copper;10,20-diphenyl-21,22-dihydroporphyrin?
The canonical SMILES for copper;10,20-diphenyl-21,22-dihydroporphyrin is C1=Cc2nc1cc1nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c2-c2ccccc2)[nH]3)C=C1.[Cu].
What is the InChIKey of copper;10,20-diphenyl-21,22-dihydroporphyrin?
The InChIKey is VVYDXGPFZHGQTL-RIEOGESVSA-N. The full InChI is InChI=1S/C32H22N4.Cu/c1-3-7-21(8-4-1)31-27-15-11-23(33-27)19-25-13-17-29(35-25)32(22-9-5-2-6-10-22)30-18-14-26(36-30)20-24-12-16-28(31)34-24;/h1-20,33,35H;/b23-19-,24-20-,25-19-,26-20-,31-27-,31-28-,32-29-,32-30-;.
What are the key properties of copper;10,20-diphenyl-21,22-dihydroporphyrin?
copper;10,20-diphenyl-21,22-dihydroporphyrin has a molecular weight of 526.10 g/mol, XLogP of 7.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;10,20-diphenyl-21,22-dihydroporphyrin is sourced from PubChem (CID 175704794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).