5,10,15,20-tetrakis(4-methylphenyl)-2,3,7,8,21,23-hexahydroporphyrin

C48H42N4 — CID 136801563

IUPAC5,10,15,20-tetrakis(4-methylphenyl)-2,3,7,8,21,23-hexahydroporphyrin
SMILESCc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5[nH]c2CC5)CC4)C=C3)cc1
InChIInChI=1S/C48H42N4/c1-29-5-13-33(14-6-29)45-37-21-23-39(49-37)46(34-15-7-30(2)8-16-34)41-25-27-43(51-41)48(36-19-11-32(4)12-20-36)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-17-9-31(3)10-18-35/h5-24,49,52H,25-28H2,1-4H3/b45-38-,46-41-,47-42-,48-44-
InChIKeyFNPIYZULYAHFSD-MNABLKKGSA-N
MW674.89 g/mol
LogP11.68
Rot. Bonds4

About 5,10,15,20-tetrakis(4-methylphenyl)-2,3,7,8,21,23-hexahydroporphyrin

5,10,15,20-tetrakis(4-methylphenyl)-2,3,7,8,21,23-hexahydroporphyrin (PubChem CID 136801563) has the molecular formula C48H42N4 and a molecular weight of 674.89 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(4-methylphenyl)-2,3,7,8,21,23-hexahydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(4-methylphenyl)-2,3,7,8,21,23-hexahydroporphyrin
PubChem CID136801563
Molecular FormulaC48H42N4
Molecular Weight674.89 g/mol
Exact Mass674.34
IUPAC Name5,10,15,20-tetrakis(4-methylphenyl)-2,3,7,8,21,23-hexahydroporphyrin
SMILESCc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5[nH]c2CC5)CC4)C=C3)cc1
InChIInChI=1S/C48H42N4/c1-29-5-13-33(14-6-29)45-37-21-23-39(49-37)46(34-15-7-30(2)8-16-34)41-25-27-43(51-41)48(36-19-11-32(4)12-20-36)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-17-9-31(3)10-18-35/h5-24,49,52H,25-28H2,1-4H3/b45-38-,46-41-,47-42-,48-44-
InChIKeyFNPIYZULYAHFSD-MNABLKKGSA-N
XLogP11.68
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.89
LogP ≤ 511.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin
CID 135870605
nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
CID 135778239
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
5,10,15-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
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
5,10,15-tri(cyclopenta-1,3-dien-1-yl)-20-(4-methylphenyl)-21,23-dihydroporphyrin
CID 136843859
[4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]phenyl]methanol
CID 135508187
[4-[10,20-bis(4-methylphenyl)-15-(4-phosphonophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]phosphonic acid
CID 136948391

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(4-methylphenyl)-2,3,7,8,21,23-hexahydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(4-methylphenyl)-2,3,7,8,21,23-hexahydroporphyrin (CID 136801563) is 5,10,15,20-tetrakis(4-methylphenyl)-2,3,7,8,21,23-hexahydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(4-methylphenyl)-2,3,7,8,21,23-hexahydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(4-methylphenyl)-2,3,7,8,21,23-hexahydroporphyrin is Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5[nH]c2CC5)CC4)C=C3)cc1.
What is the InChIKey of 5,10,15,20-tetrakis(4-methylphenyl)-2,3,7,8,21,23-hexahydroporphyrin?
The InChIKey is FNPIYZULYAHFSD-MNABLKKGSA-N. The full InChI is InChI=1S/C48H42N4/c1-29-5-13-33(14-6-29)45-37-21-23-39(49-37)46(34-15-7-30(2)8-16-34)41-25-27-43(51-41)48(36-19-11-32(4)12-20-36)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-17-9-31(3)10-18-35/h5-24,49,52H,25-28H2,1-4H3/b45-38-,46-41-,47-42-,48-44-.
What are the key properties of 5,10,15,20-tetrakis(4-methylphenyl)-2,3,7,8,21,23-hexahydroporphyrin?
5,10,15,20-tetrakis(4-methylphenyl)-2,3,7,8,21,23-hexahydroporphyrin has a molecular weight of 674.89 g/mol, XLogP of 11.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(4-methylphenyl)-2,3,7,8,21,23-hexahydroporphyrin is sourced from PubChem (CID 136801563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).