2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole

C36H29N — CID 166512378

IUPAC2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole
SMILESCc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccc(C)cc3)n2-c2ccccc2)cc1
InChIInChI=1S/C36H29N/c1-26-18-22-30(23-19-26)35-33(28-12-6-3-7-13-28)34(29-14-8-4-9-15-29)36(31-24-20-27(2)21-25-31)37(35)32-16-10-5-11-17-32/h3-25H,1-2H3
InChIKeyBOMVRQUDRQPKOT-UHFFFAOYSA-N
MW475.64 g/mol
LogP9.76
Rot. Bonds5

About 2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole

2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole (PubChem CID 166512378) has the molecular formula C36H29N and a molecular weight of 475.64 g/mol. Its IUPAC name is 2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole.

Molecular Properties

Compound Name2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole
PubChem CID166512378
Molecular FormulaC36H29N
Molecular Weight475.64 g/mol
Exact Mass475.23
IUPAC Name2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole
SMILESCc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccc(C)cc3)n2-c2ccccc2)cc1
InChIInChI=1S/C36H29N/c1-26-18-22-30(23-19-26)35-33(28-12-6-3-7-13-28)34(29-14-8-4-9-15-29)36(31-24-20-27(2)21-25-31)37(35)32-16-10-5-11-17-32/h3-25H,1-2H3
InChIKeyBOMVRQUDRQPKOT-UHFFFAOYSA-N
XLogP9.76
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.64
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylphenyl)-1,3,4-triphenyl-5-[4-[(E)-prop-1-enyl]phenyl]pyrrole
CID 166512404
2-(4-methylphenyl)-1,3-diphenylisoindole
CID 66688273
3,5-diphenyl-4-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]-1,2,4-triazole
CID 58489447
1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione
CID 12674926
1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole
CID 58489449
2-(4-methylphenyl)-1,3,5-triphenylpyrrole
CID 6710391
3-(4-methylphenyl)-1,2,5-triphenylpyrrole
CID 11851226
[4-methyl-5-(4-methylphenyl)-1,2-diphenylpyrrol-3-yl]-triphenylsilane
CID 159315059
2-[4-[4-(1,3,4,5,6,7-hexakis-phenylisoindol-2-yl)phenyl]phenyl]-1,3,4,5,6,7-hexakis-phenylisoindole
CID 58886989
5,6-dimethyl-1,2,3-triphenylindole
CID 102138148
3-(4-methylphenyl)-2,4-diphenyl-1H-pyrazol-5-one
CID 11034751
triphenyl-(1,2,4,5-tetraphenylpyrrol-3-yl)silane
CID 140869466

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole?
The IUPAC name of 2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole (CID 166512378) is 2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole.
What is the SMILES notation for 2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole?
The canonical SMILES for 2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole is Cc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccc(C)cc3)n2-c2ccccc2)cc1.
What is the InChIKey of 2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole?
The InChIKey is BOMVRQUDRQPKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29N/c1-26-18-22-30(23-19-26)35-33(28-12-6-3-7-13-28)34(29-14-8-4-9-15-29)36(31-24-20-27(2)21-25-31)37(35)32-16-10-5-11-17-32/h3-25H,1-2H3.
What are the key properties of 2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole?
2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole has a molecular weight of 475.64 g/mol, XLogP of 9.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole is sourced from PubChem (CID 166512378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).