3-[3-iodo-4-(2-methylphenyl)phenyl]-9-phenylcarbazole

C31H22IN — CID 118888312

IUPAC3-[3-iodo-4-(2-methylphenyl)phenyl]-9-phenylcarbazole
SMILESCc1ccccc1-c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1I
InChIInChI=1S/C31H22IN/c1-21-9-5-6-12-25(21)26-17-15-23(20-29(26)32)22-16-18-31-28(19-22)27-13-7-8-14-30(27)33(31)24-10-3-2-4-11-24/h2-20H,1H3
InChIKeyYLKDSVXDSVNFHZ-UHFFFAOYSA-N
MW535.43 g/mol
LogP9.03
Rot. Bonds3

About 3-[3-iodo-4-(2-methylphenyl)phenyl]-9-phenylcarbazole

3-[3-iodo-4-(2-methylphenyl)phenyl]-9-phenylcarbazole (PubChem CID 118888312) has the molecular formula C31H22IN and a molecular weight of 535.43 g/mol. Its IUPAC name is 3-[3-iodo-4-(2-methylphenyl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-iodo-4-(2-methylphenyl)phenyl]-9-phenylcarbazole
PubChem CID118888312
Molecular FormulaC31H22IN
Molecular Weight535.43 g/mol
Exact Mass535.08
IUPAC Name3-[3-iodo-4-(2-methylphenyl)phenyl]-9-phenylcarbazole
SMILESCc1ccccc1-c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1I
InChIInChI=1S/C31H22IN/c1-21-9-5-6-12-25(21)26-17-15-23(20-29(26)32)22-16-18-31-28(19-22)27-13-7-8-14-30(27)33(31)24-10-3-2-4-11-24/h2-20H,1H3
InChIKeyYLKDSVXDSVNFHZ-UHFFFAOYSA-N
XLogP9.03
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.43
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-[3-iodo-4-(2-methylphenyl)phenyl]-9-phenylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methyl-3-phenylphenyl)-9-phenylcarbazole
CID 123587918
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[2-methyl-3-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 89460166
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
9-[2-(2-methylphenyl)phenyl]-3-phenylcarbazole
CID 170070142
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535

Frequently Asked Questions

What is the IUPAC name of 3-[3-iodo-4-(2-methylphenyl)phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-iodo-4-(2-methylphenyl)phenyl]-9-phenylcarbazole (CID 118888312) is 3-[3-iodo-4-(2-methylphenyl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-iodo-4-(2-methylphenyl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-iodo-4-(2-methylphenyl)phenyl]-9-phenylcarbazole is Cc1ccccc1-c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1I.
What is the InChIKey of 3-[3-iodo-4-(2-methylphenyl)phenyl]-9-phenylcarbazole?
The InChIKey is YLKDSVXDSVNFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22IN/c1-21-9-5-6-12-25(21)26-17-15-23(20-29(26)32)22-16-18-31-28(19-22)27-13-7-8-14-30(27)33(31)24-10-3-2-4-11-24/h2-20H,1H3.
What are the key properties of 3-[3-iodo-4-(2-methylphenyl)phenyl]-9-phenylcarbazole?
3-[3-iodo-4-(2-methylphenyl)phenyl]-9-phenylcarbazole has a molecular weight of 535.43 g/mol, XLogP of 9.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-iodo-4-(2-methylphenyl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 118888312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).