3,4-diphenyl-1-(4-propan-2-ylphenyl)pyrrole

C25H23N — CID 102125597

IUPAC3,4-diphenyl-1-(4-propan-2-ylphenyl)pyrrole
SMILESCC(C)c1ccc(-n2cc(-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C25H23N/c1-19(2)20-13-15-23(16-14-20)26-17-24(21-9-5-3-6-10-21)25(18-26)22-11-7-4-8-12-22/h3-19H,1-2H3
InChIKeyQPLZXGYTOSVSLD-UHFFFAOYSA-N
MW337.47 g/mol
LogP6.93
Rot. Bonds4

About 3,4-diphenyl-1-(4-propan-2-ylphenyl)pyrrole

3,4-diphenyl-1-(4-propan-2-ylphenyl)pyrrole (PubChem CID 102125597) has the molecular formula C25H23N and a molecular weight of 337.47 g/mol. Its IUPAC name is 3,4-diphenyl-1-(4-propan-2-ylphenyl)pyrrole.

Molecular Properties

Compound Name3,4-diphenyl-1-(4-propan-2-ylphenyl)pyrrole
PubChem CID102125597
Molecular FormulaC25H23N
Molecular Weight337.47 g/mol
Exact Mass337.18
IUPAC Name3,4-diphenyl-1-(4-propan-2-ylphenyl)pyrrole
SMILESCC(C)c1ccc(-n2cc(-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C25H23N/c1-19(2)20-13-15-23(16-14-20)26-17-24(21-9-5-3-6-10-21)25(18-26)22-11-7-4-8-12-22/h3-19H,1-2H3
InChIKeyQPLZXGYTOSVSLD-UHFFFAOYSA-N
XLogP6.93
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(4-methoxyphenyl)-1,4-diphenylpyrrole
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CID 59853112
benzene;cumene
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cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
4-benzyl-1-(4-propan-2-ylphenyl)imidazole
CID 156877857
4-phenyl-6-[4-(4-propan-2-ylphenyl)phenyl]dibenzofuran
CID 67964041
cumene;2-methylpropane
CID 90828344
cumene;hydrogen peroxide
CID 21225480
cumene;ethane
CID 54306132
carbon dioxide;4-phenyl-1-(4-propan-2-ylphenyl)triazole
CID 157181337

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-1-(4-propan-2-ylphenyl)pyrrole?
The IUPAC name of 3,4-diphenyl-1-(4-propan-2-ylphenyl)pyrrole (CID 102125597) is 3,4-diphenyl-1-(4-propan-2-ylphenyl)pyrrole.
What is the SMILES notation for 3,4-diphenyl-1-(4-propan-2-ylphenyl)pyrrole?
The canonical SMILES for 3,4-diphenyl-1-(4-propan-2-ylphenyl)pyrrole is CC(C)c1ccc(-n2cc(-c3ccccc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 3,4-diphenyl-1-(4-propan-2-ylphenyl)pyrrole?
The InChIKey is QPLZXGYTOSVSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N/c1-19(2)20-13-15-23(16-14-20)26-17-24(21-9-5-3-6-10-21)25(18-26)22-11-7-4-8-12-22/h3-19H,1-2H3.
What are the key properties of 3,4-diphenyl-1-(4-propan-2-ylphenyl)pyrrole?
3,4-diphenyl-1-(4-propan-2-ylphenyl)pyrrole has a molecular weight of 337.47 g/mol, XLogP of 6.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-1-(4-propan-2-ylphenyl)pyrrole is sourced from PubChem (CID 102125597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).