9-[(9-methylcarbazol-4-yl)methyl]-3,6-diphenylcarbazole

C38H28N2 — CID 129306339

IUPAC9-[(9-methylcarbazol-4-yl)methyl]-3,6-diphenylcarbazole
SMILESCn1c2ccccc2c2c(Cn3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cccc21
InChIInChI=1S/C38H28N2/c1-39-34-17-9-8-16-31(34)38-30(15-10-18-37(38)39)25-40-35-21-19-28(26-11-4-2-5-12-26)23-32(35)33-24-29(20-22-36(33)40)27-13-6-3-7-14-27/h2-24H,25H2,1H3
InChIKeyPKBZNZONTOXUJC-UHFFFAOYSA-N
MW512.66 g/mol
LogP9.82
Rot. Bonds4

About 9-[(9-methylcarbazol-4-yl)methyl]-3,6-diphenylcarbazole

9-[(9-methylcarbazol-4-yl)methyl]-3,6-diphenylcarbazole (PubChem CID 129306339) has the molecular formula C38H28N2 and a molecular weight of 512.66 g/mol. Its IUPAC name is 9-[(9-methylcarbazol-4-yl)methyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[(9-methylcarbazol-4-yl)methyl]-3,6-diphenylcarbazole
PubChem CID129306339
Molecular FormulaC38H28N2
Molecular Weight512.66 g/mol
Exact Mass512.23
IUPAC Name9-[(9-methylcarbazol-4-yl)methyl]-3,6-diphenylcarbazole
SMILESCn1c2ccccc2c2c(Cn3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cccc21
InChIInChI=1S/C38H28N2/c1-39-34-17-9-8-16-31(34)38-30(15-10-18-37(38)39)25-40-35-21-19-28(26-11-4-2-5-12-26)23-32(35)33-24-29(20-22-36(33)40)27-13-6-3-7-14-27/h2-24H,25H2,1H3
InChIKeyPKBZNZONTOXUJC-UHFFFAOYSA-N
XLogP9.82
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.66
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-[(9-methylcarbazol-4-yl)methyl]-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

11,12-dimethyl-1-[[3-(9-methylcarbazol-3-yl)carbazol-9-yl]methyl]indolo[2,3-a]carbazole
CID 145108998
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
12-ethyl-5-[(9-methylcarbazol-4-yl)methyl]indolo[3,2-c]carbazole
CID 134168521
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
10-methyl-2-phenylacridin-9-one
CID 18533849
9-methyl-2-(9-methylcarbazol-4-yl)carbazole;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;9-methyl-3-(9-methylcarbazol-4-yl)carbazole;9-methyl-4-(9-methylcarbazol-4-yl)carbazole;9-methyl-3-[3-(9-methylcarbazol-3-yl)phenyl]carbazole;9-methyl-3-[4-(9-methylcarbazol-3-yl)phenyl]carbazole
CID 158517648
2-[3-(9-benzylcarbazol-2-yl)-5-(9-benzylcarbazol-3-yl)phenyl]-9-methylcarbazole
CID 146221459
9-methyl-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methyl-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methyl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 163434801
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
9-methyl-2-(9-methylcarbazol-4-yl)carbazole;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;9-methyl-3-(9-methylcarbazol-4-yl)carbazole;9-methyl-4-(9-methylcarbazol-4-yl)carbazole;9-methyl-3-[4-(9-methylcarbazol-3-yl)phenyl]carbazole
CID 159041111
7-methyl-10-[9-(4-phenylphenyl)carbazol-3-yl]benzo[c]carbazole
CID 138662741
9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole
CID 71232675

Frequently Asked Questions

What is the IUPAC name of 9-[(9-methylcarbazol-4-yl)methyl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[(9-methylcarbazol-4-yl)methyl]-3,6-diphenylcarbazole (CID 129306339) is 9-[(9-methylcarbazol-4-yl)methyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[(9-methylcarbazol-4-yl)methyl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[(9-methylcarbazol-4-yl)methyl]-3,6-diphenylcarbazole is Cn1c2ccccc2c2c(Cn3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cccc21.
What is the InChIKey of 9-[(9-methylcarbazol-4-yl)methyl]-3,6-diphenylcarbazole?
The InChIKey is PKBZNZONTOXUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2/c1-39-34-17-9-8-16-31(34)38-30(15-10-18-37(38)39)25-40-35-21-19-28(26-11-4-2-5-12-26)23-32(35)33-24-29(20-22-36(33)40)27-13-6-3-7-14-27/h2-24H,25H2,1H3.
What are the key properties of 9-[(9-methylcarbazol-4-yl)methyl]-3,6-diphenylcarbazole?
9-[(9-methylcarbazol-4-yl)methyl]-3,6-diphenylcarbazole has a molecular weight of 512.66 g/mol, XLogP of 9.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(9-methylcarbazol-4-yl)methyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 129306339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).