9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole

C49H33N3 — CID 118335035

IUPAC9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole
SMILESCn1c2ccccc2c2ccc(-n3c4ccccc4c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)cc43)cc21
InChIInChI=1S/C49H33N3/c1-50-44-18-10-8-16-38(44)40-24-22-36(30-48(40)50)52-45-19-11-9-17-39(45)41-25-23-37(31-49(41)52)51-46-26-20-34(32-12-4-2-5-13-32)28-42(46)43-29-35(21-27-47(43)51)33-14-6-3-7-15-33/h2-31H,1H3
InChIKeyNSWBMHCLTBFVRN-UHFFFAOYSA-N
MW663.82 g/mol
LogP12.86
Rot. Bonds4

About 9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole

9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole (PubChem CID 118335035) has the molecular formula C49H33N3 and a molecular weight of 663.82 g/mol. Its IUPAC name is 9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole
PubChem CID118335035
Molecular FormulaC49H33N3
Molecular Weight663.82 g/mol
Exact Mass663.27
IUPAC Name9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole
SMILESCn1c2ccccc2c2ccc(-n3c4ccccc4c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)cc43)cc21
InChIInChI=1S/C49H33N3/c1-50-44-18-10-8-16-38(44)40-24-22-36(30-48(40)50)52-45-19-11-9-17-39(45)41-25-23-37(31-49(41)52)51-46-26-20-34(32-12-4-2-5-13-32)28-42(46)43-29-35(21-27-47(43)51)33-14-6-3-7-15-33/h2-31H,1H3
InChIKeyNSWBMHCLTBFVRN-UHFFFAOYSA-N
XLogP12.86
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole 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

9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole
CID 71232675
9-methyl-3-(3-phenylcarbazol-9-yl)carbazole
CID 118137351
3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole
CID 129061465
5-methyl-2,11-diphenylindolo[3,2-b]carbazole
CID 176615470
5-methyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 153276106
2-(3,6-diphenylcarbazol-9-yl)-9-[4-[2-(3,6-diphenylcarbazol-9-yl)-6-phenylcarbazol-9-yl]phenyl]-6-phenylcarbazole
CID 176786489
2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 174179540
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
9-methyl-3-(9-methylcarbazol-2-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 157228450
5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 138662748
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811

Frequently Asked Questions

What is the IUPAC name of 9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole (CID 118335035) is 9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole is Cn1c2ccccc2c2ccc(-n3c4ccccc4c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)cc43)cc21.
What is the InChIKey of 9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole?
The InChIKey is NSWBMHCLTBFVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3/c1-50-44-18-10-8-16-38(44)40-24-22-36(30-48(40)50)52-45-19-11-9-17-39(45)41-25-23-37(31-49(41)52)51-46-26-20-34(32-12-4-2-5-13-32)28-42(46)43-29-35(21-27-47(43)51)33-14-6-3-7-15-33/h2-31H,1H3.
What are the key properties of 9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole?
9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole has a molecular weight of 663.82 g/mol, XLogP of 12.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole is sourced from PubChem (CID 118335035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).