3,6-dimethyl-9-[3-methyl-4-[3-methyl-5-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole

C47H38N2 — CID 118968592

IUPAC3,6-dimethyl-9-[3-methyl-4-[3-methyl-5-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
SMILESCc1cc(-c2ccc3c(c2)c2cc(C)ccc2n3-c2ccccc2)cc(-c2ccc(-n3c4ccc(C)cc4c4cc(C)ccc43)cc2C)c1
InChIInChI=1S/C47H38N2/c1-29-12-18-45-40(23-29)41-24-30(2)13-19-46(41)49(45)38-15-16-39(33(5)26-38)36-22-32(4)21-35(27-36)34-14-20-47-43(28-34)42-25-31(3)11-17-44(42)48(47)37-9-7-6-8-10-37/h6-28H,1-5H3
InChIKeyGLIPSYFOMBCTNO-UHFFFAOYSA-N
MW630.84 g/mol
LogP12.76
Rot. Bonds4

About 3,6-dimethyl-9-[3-methyl-4-[3-methyl-5-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole

3,6-dimethyl-9-[3-methyl-4-[3-methyl-5-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole (PubChem CID 118968592) has the molecular formula C47H38N2 and a molecular weight of 630.84 g/mol. Its IUPAC name is 3,6-dimethyl-9-[3-methyl-4-[3-methyl-5-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3,6-dimethyl-9-[3-methyl-4-[3-methyl-5-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
PubChem CID118968592
Molecular FormulaC47H38N2
Molecular Weight630.84 g/mol
Exact Mass630.30
IUPAC Name3,6-dimethyl-9-[3-methyl-4-[3-methyl-5-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
SMILESCc1cc(-c2ccc3c(c2)c2cc(C)ccc2n3-c2ccccc2)cc(-c2ccc(-n3c4ccc(C)cc4c4cc(C)ccc43)cc2C)c1
InChIInChI=1S/C47H38N2/c1-29-12-18-45-40(23-29)41-24-30(2)13-19-46(41)49(45)38-15-16-39(33(5)26-38)36-22-32(4)21-35(27-36)34-14-20-47-43(28-34)42-25-31(3)11-17-44(42)48(47)37-9-7-6-8-10-37/h6-28H,1-5H3
InChIKeyGLIPSYFOMBCTNO-UHFFFAOYSA-N
XLogP12.76
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.84
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,6-dimethyl-9-[3-methyl-4-[3-methyl-5-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole 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

3,6-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-9-phenylcarbazole
CID 170283637
3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 157292241
3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174182038
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
3-[9-[4-(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370671
3-(3-methyl-5-phenylphenyl)-9-phenylcarbazole
CID 123628919
9-[4-(3,5-dimethylphenyl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 162173783
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-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
9-[3-[6-[3-(3,6-dimethylcarbazol-9-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3,6-dimethylcarbazole;2-[3-(3,5-dimethylphenyl)phenyl]-6-phenyl-4-(4-phenylphenyl)pyridine;9-[3-[6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-3,6-diphenylcarbazole
CID 159871891
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-9-[3-methyl-4-[3-methyl-5-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole?
The IUPAC name of 3,6-dimethyl-9-[3-methyl-4-[3-methyl-5-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole (CID 118968592) is 3,6-dimethyl-9-[3-methyl-4-[3-methyl-5-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 3,6-dimethyl-9-[3-methyl-4-[3-methyl-5-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 3,6-dimethyl-9-[3-methyl-4-[3-methyl-5-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole is Cc1cc(-c2ccc3c(c2)c2cc(C)ccc2n3-c2ccccc2)cc(-c2ccc(-n3c4ccc(C)cc4c4cc(C)ccc43)cc2C)c1.
What is the InChIKey of 3,6-dimethyl-9-[3-methyl-4-[3-methyl-5-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole?
The InChIKey is GLIPSYFOMBCTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H38N2/c1-29-12-18-45-40(23-29)41-24-30(2)13-19-46(41)49(45)38-15-16-39(33(5)26-38)36-22-32(4)21-35(27-36)34-14-20-47-43(28-34)42-25-31(3)11-17-44(42)48(47)37-9-7-6-8-10-37/h6-28H,1-5H3.
What are the key properties of 3,6-dimethyl-9-[3-methyl-4-[3-methyl-5-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole?
3,6-dimethyl-9-[3-methyl-4-[3-methyl-5-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole has a molecular weight of 630.84 g/mol, XLogP of 12.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-9-[3-methyl-4-[3-methyl-5-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 118968592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).