[4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]phenyl]methanol

C54H42N4O — CID 135508187

IUPAC[4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]phenyl]methanol
SMILESCc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(-c5ccc(CO)cc5)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C54H42N4O/c1-33-4-12-39(13-5-33)51-43-24-26-45(55-43)52(40-14-6-34(2)7-15-40)47-28-30-49(57-47)54(42-22-20-38(21-23-42)37-18-10-36(32-59)11-19-37)50-31-29-48(58-50)53(46-27-25-44(51)56-46)41-16-8-35(3)9-17-41/h4-31,55,58-59H,32H2,1-3H3/b51-43-,51-44-,52-45-,52-47-,53-46-,53-48-,54-49-,54-50-
InChIKeyIBWPWHUXWGFGJE-FLZKLWFOSA-N
MW762.96 g/mol
LogP13.41
Rot. Bonds6

About [4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]phenyl]methanol

[4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]phenyl]methanol (PubChem CID 135508187) has the molecular formula C54H42N4O and a molecular weight of 762.96 g/mol. Its IUPAC name is [4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]phenyl]methanol
PubChem CID135508187
Molecular FormulaC54H42N4O
Molecular Weight762.96 g/mol
Exact Mass762.34
IUPAC Name[4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]phenyl]methanol
SMILESCc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(-c5ccc(CO)cc5)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C54H42N4O/c1-33-4-12-39(13-5-33)51-43-24-26-45(55-43)52(40-14-6-34(2)7-15-40)47-28-30-49(57-47)54(42-22-20-38(21-23-42)37-18-10-36(32-59)11-19-37)50-31-29-48(58-50)53(46-27-25-44(51)56-46)41-16-8-35(3)9-17-41/h4-31,55,58-59H,32H2,1-3H3/b51-43-,51-44-,52-45-,52-47-,53-46-,53-48-,54-49-,54-50-
InChIKeyIBWPWHUXWGFGJE-FLZKLWFOSA-N
XLogP13.41
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.96
LogP ≤ 513.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852
nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
4-[10,15-bis(4-carboxyphenyl)-20-[4-(hydroxymethyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 146363651
zinc [4-[10,15,20-tris(4-methylphenyl)porphyrin-22,24-diid-5-yl]phenyl]methanol
CID 11274195
4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline
CID 101169394
5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
CID 135778239
10,20-bis(4-methylphenyl)-5-(4-prop-2-enylphenyl)-15-(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin
CID 11411742
5,10,15-tris(4-methylphenyl)-20-(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin
CID 135453156
palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin)
CID 138402828
[4-[10,20-bis(4-methylphenyl)-15-(4-phosphonophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]phosphonic acid
CID 136948391
23-methyl-5,10,15,20-tetrakis(4-methylphenyl)-21H-porphyrin
CID 11125302
5,15-bis(3,5-ditert-butylphenyl)-10,20-bis(4-methylphenyl)-21,23-dihydroporphyrin
CID 136773315

Frequently Asked Questions

What is the IUPAC name of [4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]phenyl]methanol?
The IUPAC name of [4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]phenyl]methanol (CID 135508187) is [4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]phenyl]methanol.
What is the SMILES notation for [4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]phenyl]methanol?
The canonical SMILES for [4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]phenyl]methanol is Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(-c5ccc(CO)cc5)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of [4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]phenyl]methanol?
The InChIKey is IBWPWHUXWGFGJE-FLZKLWFOSA-N. The full InChI is InChI=1S/C54H42N4O/c1-33-4-12-39(13-5-33)51-43-24-26-45(55-43)52(40-14-6-34(2)7-15-40)47-28-30-49(57-47)54(42-22-20-38(21-23-42)37-18-10-36(32-59)11-19-37)50-31-29-48(58-50)53(46-27-25-44(51)56-46)41-16-8-35(3)9-17-41/h4-31,55,58-59H,32H2,1-3H3/b51-43-,51-44-,52-45-,52-47-,53-46-,53-48-,54-49-,54-50-.
What are the key properties of [4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]phenyl]methanol?
[4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]phenyl]methanol has a molecular weight of 762.96 g/mol, XLogP of 13.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]phenyl]methanol is sourced from PubChem (CID 135508187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).