10,20-diphenyl-21,22-dihydroporphyrin

C32H22N4 — CID 10895852

IUPAC10,20-diphenyl-21,22-dihydroporphyrin
SMILESC1=Cc2nc1cc1nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c2-c2ccccc2)[nH]3)C=C1
InChIInChI=1S/C32H22N4/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-
InChIKeyQIBKIAFNCVIIMG-DUVOQLPESA-N
MW462.56 g/mol
LogP7.99
Rot. Bonds2

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

10,20-diphenyl-21,22-dihydroporphyrin (PubChem CID 10895852) has the molecular formula C32H22N4 and a molecular weight of 462.56 g/mol. Its IUPAC name is 10,20-diphenyl-21,22-dihydroporphyrin.

Molecular Properties

Compound Name10,20-diphenyl-21,22-dihydroporphyrin
PubChem CID10895852
Molecular FormulaC32H22N4
Molecular Weight462.56 g/mol
Exact Mass462.18
IUPAC Name10,20-diphenyl-21,22-dihydroporphyrin
SMILESC1=Cc2nc1cc1nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c2-c2ccccc2)[nH]3)C=C1
InChIInChI=1S/C32H22N4/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-
InChIKeyQIBKIAFNCVIIMG-DUVOQLPESA-N
XLogP7.99
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.56
LogP ≤ 57.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10,20-diphenyl-21,22-dihydroporphyrin?
The IUPAC name of 10,20-diphenyl-21,22-dihydroporphyrin (CID 10895852) is 10,20-diphenyl-21,22-dihydroporphyrin.
What is the SMILES notation for 10,20-diphenyl-21,22-dihydroporphyrin?
The canonical SMILES for 10,20-diphenyl-21,22-dihydroporphyrin is C1=Cc2nc1cc1nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c2-c2ccccc2)[nH]3)C=C1.
What is the InChIKey of 10,20-diphenyl-21,22-dihydroporphyrin?
The InChIKey is QIBKIAFNCVIIMG-DUVOQLPESA-N. The full InChI is InChI=1S/C32H22N4/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 10,20-diphenyl-21,22-dihydroporphyrin?
10,20-diphenyl-21,22-dihydroporphyrin has a molecular weight of 462.56 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 10,20-diphenyl-21,22-dihydroporphyrin is sourced from PubChem (CID 10895852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).