2-(4-cyclohexylphenyl)-5-methyl-1-phenylpyrrole

C23H25N — CID 3021779

IUPAC2-(4-cyclohexylphenyl)-5-methyl-1-phenylpyrrole
SMILESCc1ccc(-c2ccc(C3CCCCC3)cc2)n1-c1ccccc1
InChIInChI=1S/C23H25N/c1-18-12-17-23(24(18)22-10-6-3-7-11-22)21-15-13-20(14-16-21)19-8-4-2-5-9-19/h3,6-7,10-17,19H,2,4-5,8-9H2,1H3
InChIKeySQUOPUNBVWHMIE-UHFFFAOYSA-N
MW315.46 g/mol
LogP6.50
Rot. Bonds3

About 2-(4-cyclohexylphenyl)-5-methyl-1-phenylpyrrole

2-(4-cyclohexylphenyl)-5-methyl-1-phenylpyrrole (PubChem CID 3021779) has the molecular formula C23H25N and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-5-methyl-1-phenylpyrrole.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-5-methyl-1-phenylpyrrole
PubChem CID3021779
Molecular FormulaC23H25N
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC Name2-(4-cyclohexylphenyl)-5-methyl-1-phenylpyrrole
SMILESCc1ccc(-c2ccc(C3CCCCC3)cc2)n1-c1ccccc1
InChIInChI=1S/C23H25N/c1-18-12-17-23(24(18)22-10-6-3-7-11-22)21-15-13-20(14-16-21)19-8-4-2-5-9-19/h3,6-7,10-17,19H,2,4-5,8-9H2,1H3
InChIKeySQUOPUNBVWHMIE-UHFFFAOYSA-N
XLogP6.50
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-5-methyl-1-phenylpyrrole?
The IUPAC name of 2-(4-cyclohexylphenyl)-5-methyl-1-phenylpyrrole (CID 3021779) is 2-(4-cyclohexylphenyl)-5-methyl-1-phenylpyrrole.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-5-methyl-1-phenylpyrrole?
The canonical SMILES for 2-(4-cyclohexylphenyl)-5-methyl-1-phenylpyrrole is Cc1ccc(-c2ccc(C3CCCCC3)cc2)n1-c1ccccc1.
What is the InChIKey of 2-(4-cyclohexylphenyl)-5-methyl-1-phenylpyrrole?
The InChIKey is SQUOPUNBVWHMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N/c1-18-12-17-23(24(18)22-10-6-3-7-11-22)21-15-13-20(14-16-21)19-8-4-2-5-9-19/h3,6-7,10-17,19H,2,4-5,8-9H2,1H3.
What are the key properties of 2-(4-cyclohexylphenyl)-5-methyl-1-phenylpyrrole?
2-(4-cyclohexylphenyl)-5-methyl-1-phenylpyrrole has a molecular weight of 315.46 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)-5-methyl-1-phenylpyrrole is sourced from PubChem (CID 3021779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).