[4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]methanol

C48H40N4O — CID 91558271

IUPAC[4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]methanol
SMILESCc1ccc(C2=c3ccc([nH]3)=C(c3ccc(C)cc3)c3ccc([nH]3)C(c3ccc(CO)cc3)=c3ccc([nH]3)=C(c3ccc(C)cc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C48H40N4O/c1-29-4-12-33(13-5-29)45-37-20-22-39(49-37)46(34-14-6-30(2)7-15-34)41-24-26-43(51-41)48(36-18-10-32(28-53)11-19-36)44-27-25-42(52-44)47(40-23-21-38(45)50-40)35-16-8-31(3)9-17-35/h4-27,49-53H,28H2,1-3H3
InChIKeyFQBXGMWVDBUSCC-UHFFFAOYSA-N
MW688.88 g/mol
LogP6.72
Rot. Bonds5

About [4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]methanol

[4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]methanol (PubChem CID 91558271) has the molecular formula C48H40N4O and a molecular weight of 688.88 g/mol. Its IUPAC name is [4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]methanol
PubChem CID91558271
Molecular FormulaC48H40N4O
Molecular Weight688.88 g/mol
Exact Mass688.32
IUPAC Name[4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]methanol
SMILESCc1ccc(C2=c3ccc([nH]3)=C(c3ccc(C)cc3)c3ccc([nH]3)C(c3ccc(CO)cc3)=c3ccc([nH]3)=C(c3ccc(C)cc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C48H40N4O/c1-29-4-12-33(13-5-29)45-37-20-22-39(49-37)46(34-14-6-30(2)7-15-34)41-24-26-43(51-41)48(36-18-10-32(28-53)11-19-36)44-27-25-42(52-44)47(40-23-21-38(45)50-40)35-16-8-31(3)9-17-35/h4-27,49-53H,28H2,1-3H3
InChIKeyFQBXGMWVDBUSCC-UHFFFAOYSA-N
XLogP6.72
TPSA83.39 Ų
H-Bond Donors5
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.88
LogP ≤ 56.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 101

Analyze [4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]methanol with MolForge

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Related Compounds

[4-(1H-indol-2-yl)phenyl]methanol
CID 44577831
CID 90976358
CID 90976358
1H-Pyrrole-3,4-dimethanol, a3,a4,2,5-tetraphenyl-
CID 363020
2,6-Difluoro-4-[10,15,20-tris(3,5-difluoro-4-hydroxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol
CID 54455347
4-(10,15,20-Triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzoic acid
CID 53866001
4-[10,15,20-Tris(4-carboxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]benzoic acid
CID 53877037
4-[10,15,20-Tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]benzoic acid
CID 54208632
4-(10,15,20-Triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenol
CID 54235932
2-[10,15,20-Tris(2-hydroxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol
CID 54266401
5,10,15,20-Tetrakis(p-tolyl)-21,22,23,24-tetrahydroporphyrin
CID 54303154
4-[10,15,20-Tris(4-hydroxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol
CID 54388995
5,10,15-Tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin
CID 54563793

Frequently Asked Questions

What is the IUPAC name of [4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]methanol?
The IUPAC name of [4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]methanol (CID 91558271) is [4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]methanol.
What is the SMILES notation for [4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]methanol?
The canonical SMILES for [4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]methanol is Cc1ccc(C2=c3ccc([nH]3)=C(c3ccc(C)cc3)c3ccc([nH]3)C(c3ccc(CO)cc3)=c3ccc([nH]3)=C(c3ccc(C)cc3)c3ccc2[nH]3)cc1.
What is the InChIKey of [4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]methanol?
The InChIKey is FQBXGMWVDBUSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N4O/c1-29-4-12-33(13-5-29)45-37-20-22-39(49-37)46(34-14-6-30(2)7-15-34)41-24-26-43(51-41)48(36-18-10-32(28-53)11-19-36)44-27-25-42(52-44)47(40-23-21-38(45)50-40)35-16-8-31(3)9-17-35/h4-27,49-53H,28H2,1-3H3.
What are the key properties of [4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]methanol?
[4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]methanol has a molecular weight of 688.88 g/mol, XLogP of 6.72, 5 rotatable bonds, 5 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]methanol is sourced from PubChem (CID 91558271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).