4-(10,20-diphenyl-21,23-dihydroporphyrin-2-yl)phenol

C38H26N4O — CID 151835088

IUPAC4-(10,20-diphenyl-21,23-dihydroporphyrin-2-yl)phenol
SMILESOc1ccc(-c2cc3cc4nc(c(-c5ccccc5)c5ccc(cc6nc(c(-c7ccccc7)c2[nH]3)C=C6)[nH]5)C=C4)cc1
InChIInChI=1S/C38H26N4O/c43-31-16-11-24(12-17-31)32-23-30-22-29-14-19-34(40-29)36(25-7-3-1-4-8-25)33-18-13-27(39-33)21-28-15-20-35(41-28)37(38(32)42-30)26-9-5-2-6-10-26/h1-23,39,42-43H/b27-21-,28-21-,29-22-,30-22-,36-33-,36-34-,37-35-,38-37-
InChIKeySFMIOBCNTLELAJ-WGBZDOOVSA-N
MW554.65 g/mol
LogP9.36
Rot. Bonds3

About 4-(10,20-diphenyl-21,23-dihydroporphyrin-2-yl)phenol

4-(10,20-diphenyl-21,23-dihydroporphyrin-2-yl)phenol (PubChem CID 151835088) has the molecular formula C38H26N4O and a molecular weight of 554.65 g/mol. Its IUPAC name is 4-(10,20-diphenyl-21,23-dihydroporphyrin-2-yl)phenol.

Molecular Properties

Compound Name4-(10,20-diphenyl-21,23-dihydroporphyrin-2-yl)phenol
PubChem CID151835088
Molecular FormulaC38H26N4O
Molecular Weight554.65 g/mol
Exact Mass554.21
IUPAC Name4-(10,20-diphenyl-21,23-dihydroporphyrin-2-yl)phenol
SMILESOc1ccc(-c2cc3cc4nc(c(-c5ccccc5)c5ccc(cc6nc(c(-c7ccccc7)c2[nH]3)C=C6)[nH]5)C=C4)cc1
InChIInChI=1S/C38H26N4O/c43-31-16-11-24(12-17-31)32-23-30-22-29-14-19-34(40-29)36(25-7-3-1-4-8-25)33-18-13-27(39-33)21-28-15-20-35(41-28)37(38(32)42-30)26-9-5-2-6-10-26/h1-23,39,42-43H/b27-21-,28-21-,29-22-,30-22-,36-33-,36-34-,37-35-,38-37-
InChIKeySFMIOBCNTLELAJ-WGBZDOOVSA-N
XLogP9.36
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.65
LogP ≤ 59.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethynylphenyl)-10,20-diphenyl-21,23-dihydroporphyrin
CID 175496055
gold;2,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 174635245
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
3-(15,20-diphenyl-21,23-dihydroporphyrin-2-yl)aniline
CID 152611661
copper;10,20-diphenyl-21,22-dihydroporphyrin
CID 175704794
5-[4-[4-(21,23-dihydroporphyrin-5-yl)phenyl]phenyl]-21,23-dihydroporphyrin
CID 136749783
3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 141240243
10,20-diphenyl-21,23-dihydroporphyrin-5-amine
CID 136859118
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
(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

Frequently Asked Questions

What is the IUPAC name of 4-(10,20-diphenyl-21,23-dihydroporphyrin-2-yl)phenol?
The IUPAC name of 4-(10,20-diphenyl-21,23-dihydroporphyrin-2-yl)phenol (CID 151835088) is 4-(10,20-diphenyl-21,23-dihydroporphyrin-2-yl)phenol.
What is the SMILES notation for 4-(10,20-diphenyl-21,23-dihydroporphyrin-2-yl)phenol?
The canonical SMILES for 4-(10,20-diphenyl-21,23-dihydroporphyrin-2-yl)phenol is Oc1ccc(-c2cc3cc4nc(c(-c5ccccc5)c5ccc(cc6nc(c(-c7ccccc7)c2[nH]3)C=C6)[nH]5)C=C4)cc1.
What is the InChIKey of 4-(10,20-diphenyl-21,23-dihydroporphyrin-2-yl)phenol?
The InChIKey is SFMIOBCNTLELAJ-WGBZDOOVSA-N. The full InChI is InChI=1S/C38H26N4O/c43-31-16-11-24(12-17-31)32-23-30-22-29-14-19-34(40-29)36(25-7-3-1-4-8-25)33-18-13-27(39-33)21-28-15-20-35(41-28)37(38(32)42-30)26-9-5-2-6-10-26/h1-23,39,42-43H/b27-21-,28-21-,29-22-,30-22-,36-33-,36-34-,37-35-,38-37-.
What are the key properties of 4-(10,20-diphenyl-21,23-dihydroporphyrin-2-yl)phenol?
4-(10,20-diphenyl-21,23-dihydroporphyrin-2-yl)phenol has a molecular weight of 554.65 g/mol, XLogP of 9.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10,20-diphenyl-21,23-dihydroporphyrin-2-yl)phenol is sourced from PubChem (CID 151835088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).