3-(2-benzylphenyl)-4-methyl-9H-carbazole

C26H21N — CID 145017147

IUPAC3-(2-benzylphenyl)-4-methyl-9H-carbazole
SMILESCc1c(-c2ccccc2Cc2ccccc2)ccc2[nH]c3ccccc3c12
InChIInChI=1S/C26H21N/c1-18-21(15-16-25-26(18)23-13-7-8-14-24(23)27-25)22-12-6-5-11-20(22)17-19-9-3-2-4-10-19/h2-16,27H,17H2,1H3
InChIKeyFQUSSWBHSAZYPM-UHFFFAOYSA-N
MW347.46 g/mol
LogP6.89
Rot. Bonds3

About 3-(2-benzylphenyl)-4-methyl-9H-carbazole

3-(2-benzylphenyl)-4-methyl-9H-carbazole (PubChem CID 145017147) has the molecular formula C26H21N and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-(2-benzylphenyl)-4-methyl-9H-carbazole.

Molecular Properties

Compound Name3-(2-benzylphenyl)-4-methyl-9H-carbazole
PubChem CID145017147
Molecular FormulaC26H21N
Molecular Weight347.46 g/mol
Exact Mass347.17
IUPAC Name3-(2-benzylphenyl)-4-methyl-9H-carbazole
SMILESCc1c(-c2ccccc2Cc2ccccc2)ccc2[nH]c3ccccc3c12
InChIInChI=1S/C26H21N/c1-18-21(15-16-25-26(18)23-13-7-8-14-24(23)27-25)22-12-6-5-11-20(22)17-19-9-3-2-4-10-19/h2-16,27H,17H2,1H3
InChIKeyFQUSSWBHSAZYPM-UHFFFAOYSA-N
XLogP6.89
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(2-benzylphenyl)-4-methyl-9H-carbazole?
The IUPAC name of 3-(2-benzylphenyl)-4-methyl-9H-carbazole (CID 145017147) is 3-(2-benzylphenyl)-4-methyl-9H-carbazole.
What is the SMILES notation for 3-(2-benzylphenyl)-4-methyl-9H-carbazole?
The canonical SMILES for 3-(2-benzylphenyl)-4-methyl-9H-carbazole is Cc1c(-c2ccccc2Cc2ccccc2)ccc2[nH]c3ccccc3c12.
What is the InChIKey of 3-(2-benzylphenyl)-4-methyl-9H-carbazole?
The InChIKey is FQUSSWBHSAZYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N/c1-18-21(15-16-25-26(18)23-13-7-8-14-24(23)27-25)22-12-6-5-11-20(22)17-19-9-3-2-4-10-19/h2-16,27H,17H2,1H3.
What are the key properties of 3-(2-benzylphenyl)-4-methyl-9H-carbazole?
3-(2-benzylphenyl)-4-methyl-9H-carbazole has a molecular weight of 347.46 g/mol, XLogP of 6.89, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzylphenyl)-4-methyl-9H-carbazole is sourced from PubChem (CID 145017147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).