3-benzyl-6-(3-methylphenyl)-9-phenylcarbazole

C32H25N — CID 146531656

IUPAC3-benzyl-6-(3-methylphenyl)-9-phenylcarbazole
SMILESCc1cccc(-c2ccc3c(c2)c2cc(Cc4ccccc4)ccc2n3-c2ccccc2)c1
InChIInChI=1S/C32H25N/c1-23-9-8-12-26(19-23)27-16-18-32-30(22-27)29-21-25(20-24-10-4-2-5-11-24)15-17-31(29)33(32)28-13-6-3-7-14-28/h2-19,21-22H,20H2,1H3
InChIKeyZIWAVIGMHYHGEG-UHFFFAOYSA-N
MW423.56 g/mol
LogP8.35
Rot. Bonds4

About 3-benzyl-6-(3-methylphenyl)-9-phenylcarbazole

3-benzyl-6-(3-methylphenyl)-9-phenylcarbazole (PubChem CID 146531656) has the molecular formula C32H25N and a molecular weight of 423.56 g/mol. Its IUPAC name is 3-benzyl-6-(3-methylphenyl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-benzyl-6-(3-methylphenyl)-9-phenylcarbazole
PubChem CID146531656
Molecular FormulaC32H25N
Molecular Weight423.56 g/mol
Exact Mass423.20
IUPAC Name3-benzyl-6-(3-methylphenyl)-9-phenylcarbazole
SMILESCc1cccc(-c2ccc3c(c2)c2cc(Cc4ccccc4)ccc2n3-c2ccccc2)c1
InChIInChI=1S/C32H25N/c1-23-9-8-12-26(19-23)27-16-18-32-30(22-27)29-21-25(20-24-10-4-2-5-11-24)15-17-31(29)33(32)28-13-6-3-7-14-28/h2-19,21-22H,20H2,1H3
InChIKeyZIWAVIGMHYHGEG-UHFFFAOYSA-N
XLogP8.35
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole
CID 157272513
3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174182038
3-[9-[3-methyl-5-(3-methylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370775
9-(4-phenylphenyl)-3-[4-[4-[(4-phenylphenyl)methyl]phenyl]phenyl]carbazole
CID 158819686
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 162048953
9-[4-[(3-methylphenyl)methyl]phenyl]carbazole
CID 143035757
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 158304172
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 160614579
3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 160753219
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
9-phenyl-3-[4-[[4-(2-phenylphenyl)phenyl]methyl]phenyl]carbazole
CID 157272511
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-(3-methylphenyl)-9-phenylcarbazole?
The IUPAC name of 3-benzyl-6-(3-methylphenyl)-9-phenylcarbazole (CID 146531656) is 3-benzyl-6-(3-methylphenyl)-9-phenylcarbazole.
What is the SMILES notation for 3-benzyl-6-(3-methylphenyl)-9-phenylcarbazole?
The canonical SMILES for 3-benzyl-6-(3-methylphenyl)-9-phenylcarbazole is Cc1cccc(-c2ccc3c(c2)c2cc(Cc4ccccc4)ccc2n3-c2ccccc2)c1.
What is the InChIKey of 3-benzyl-6-(3-methylphenyl)-9-phenylcarbazole?
The InChIKey is ZIWAVIGMHYHGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N/c1-23-9-8-12-26(19-23)27-16-18-32-30(22-27)29-21-25(20-24-10-4-2-5-11-24)15-17-31(29)33(32)28-13-6-3-7-14-28/h2-19,21-22H,20H2,1H3.
What are the key properties of 3-benzyl-6-(3-methylphenyl)-9-phenylcarbazole?
3-benzyl-6-(3-methylphenyl)-9-phenylcarbazole has a molecular weight of 423.56 g/mol, XLogP of 8.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-(3-methylphenyl)-9-phenylcarbazole is sourced from PubChem (CID 146531656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).