5-(3-methylphenyl)-2,3-diphenyl-1H-pyrrole

C23H19N — CID 102369143

IUPAC5-(3-methylphenyl)-2,3-diphenyl-1H-pyrrole
SMILESCc1cccc(-c2cc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C23H19N/c1-17-9-8-14-20(15-17)22-16-21(18-10-4-2-5-11-18)23(24-22)19-12-6-3-7-13-19/h2-16,24H,1H3
InChIKeyOIDVCNBWSNQSLQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP6.32
Rot. Bonds3

About 5-(3-methylphenyl)-2,3-diphenyl-1H-pyrrole

5-(3-methylphenyl)-2,3-diphenyl-1H-pyrrole (PubChem CID 102369143) has the molecular formula C23H19N and a molecular weight of 309.41 g/mol. Its IUPAC name is 5-(3-methylphenyl)-2,3-diphenyl-1H-pyrrole.

Molecular Properties

Compound Name5-(3-methylphenyl)-2,3-diphenyl-1H-pyrrole
PubChem CID102369143
Molecular FormulaC23H19N
Molecular Weight309.41 g/mol
Exact Mass309.15
IUPAC Name5-(3-methylphenyl)-2,3-diphenyl-1H-pyrrole
SMILESCc1cccc(-c2cc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C23H19N/c1-17-9-8-14-20(15-17)22-16-21(18-10-4-2-5-11-18)23(24-22)19-12-6-3-7-13-19/h2-16,24H,1H3
InChIKeyOIDVCNBWSNQSLQ-UHFFFAOYSA-N
XLogP6.32
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

5-methyl-2,3-diphenyl-1H-pyrrole
CID 19784711
5-(3-nitrophenyl)-2,3-diphenyl-1H-pyrrole
CID 102369150
1,2-bis[3-(3-methylphenyl)phenyl]-4,5-diphenylbenzene
CID 59552772
4-(3-methylphenyl)-1,2-diphenylbenzene
CID 59171658
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
ethane;1-methyl-3-phenylbenzene
CID 142040878
2-(3-methylphenyl)-6-phenylaniline
CID 150906011
1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene
CID 159346959
2-(4-fluorophenyl)-5-methyl-3-phenyl-1H-pyrrole
CID 11817591
ethene;1-methyl-3-phenylbenzene
CID 142622149
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-2,3-diphenyl-1H-pyrrole?
The IUPAC name of 5-(3-methylphenyl)-2,3-diphenyl-1H-pyrrole (CID 102369143) is 5-(3-methylphenyl)-2,3-diphenyl-1H-pyrrole.
What is the SMILES notation for 5-(3-methylphenyl)-2,3-diphenyl-1H-pyrrole?
The canonical SMILES for 5-(3-methylphenyl)-2,3-diphenyl-1H-pyrrole is Cc1cccc(-c2cc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1.
What is the InChIKey of 5-(3-methylphenyl)-2,3-diphenyl-1H-pyrrole?
The InChIKey is OIDVCNBWSNQSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N/c1-17-9-8-14-20(15-17)22-16-21(18-10-4-2-5-11-18)23(24-22)19-12-6-3-7-13-19/h2-16,24H,1H3.
What are the key properties of 5-(3-methylphenyl)-2,3-diphenyl-1H-pyrrole?
5-(3-methylphenyl)-2,3-diphenyl-1H-pyrrole has a molecular weight of 309.41 g/mol, XLogP of 6.32, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-2,3-diphenyl-1H-pyrrole is sourced from PubChem (CID 102369143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).