9-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-3-phenyl-3,4-dihydrocarbazole

C39H34N4 — CID 145085569

IUPAC9-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-3-phenyl-3,4-dihydrocarbazole
SMILESC1=CC(c2ccccc2)Cc2c1n(-c1cccc(C3NC(c4ccccc4)NC(c4ccccc4)N3)c1)c1ccccc21
InChIInChI=1S/C39H34N4/c1-4-13-27(14-5-1)30-23-24-36-34(26-30)33-21-10-11-22-35(33)43(36)32-20-12-19-31(25-32)39-41-37(28-15-6-2-7-16-28)40-38(42-39)29-17-8-3-9-18-29/h1-25,30,37-42H,26H2
InChIKeyCBMTZFMLYZNQLP-UHFFFAOYSA-N
MW558.73 g/mol
LogP8.16
Rot. Bonds5

About 9-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-3-phenyl-3,4-dihydrocarbazole

9-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-3-phenyl-3,4-dihydrocarbazole (PubChem CID 145085569) has the molecular formula C39H34N4 and a molecular weight of 558.73 g/mol. Its IUPAC name is 9-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-3-phenyl-3,4-dihydrocarbazole.

Molecular Properties

Compound Name9-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-3-phenyl-3,4-dihydrocarbazole
PubChem CID145085569
Molecular FormulaC39H34N4
Molecular Weight558.73 g/mol
Exact Mass558.28
IUPAC Name9-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-3-phenyl-3,4-dihydrocarbazole
SMILESC1=CC(c2ccccc2)Cc2c1n(-c1cccc(C3NC(c4ccccc4)NC(c4ccccc4)N3)c1)c1ccccc21
InChIInChI=1S/C39H34N4/c1-4-13-27(14-5-1)30-23-24-36-34(26-30)33-21-10-11-22-35(33)43(36)32-20-12-19-31(25-32)39-41-37(28-15-6-2-7-16-28)40-38(42-39)29-17-8-3-9-18-29/h1-25,30,37-42H,26H2
InChIKeyCBMTZFMLYZNQLP-UHFFFAOYSA-N
XLogP8.16
TPSA41.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.73
LogP ≤ 58.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 9-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-3-phenyl-3,4-dihydrocarbazole 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-phenyl-1-(9-phenyl-3,4-dihydrocarbazol-3-yl)carbazole
CID 118228720
9-[3-[6-[3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)phenyl]-1,8-diphenylphenanthren-3-yl]phenyl]-3,6-diphenylcarbazole
CID 89046059
N,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline
CID 166696096
3-[9-[3,5-bis(3-fluorophenyl)phenyl]-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 163674925
9-[3-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-2-yl)phenyl]carbazole
CID 144963874
2-(4-methylphenyl)-5-[4-[3-(9-phenyl-3,4-dihydrocarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,4-oxadiazole
CID 71086025
9-phenyl-3-[9-[4-(3-phenylphenyl)-1,2-dihydroquinolin-2-yl]-3,4-dihydrocarbazol-3-yl]carbazole
CID 118535789
3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]-9-phenylcarbazole
CID 170061394
4-[8-(9-phenyl-3,4-dihydrocarbazol-3-yl)dibenzothiophen-2-yl]benzonitrile
CID 135233863
9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4b,7,8,8a-tetrahydrofluoren-2-amine
CID 138510419
3-(7,8,9,9a-tetrahydro-4aH-carbazol-2-yl)-9-(3-phenylphenyl)-3,4-dihydrocarbazole
CID 129022416
9-[5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3-diaza-5-azanidacyclohex-2-yl)cyclohexa-1,5-dien-1-yl]-3-phenyl-3,4-dihydrocarbazole
CID 145085544

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-3-phenyl-3,4-dihydrocarbazole?
The IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-3-phenyl-3,4-dihydrocarbazole (CID 145085569) is 9-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-3-phenyl-3,4-dihydrocarbazole.
What is the SMILES notation for 9-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-3-phenyl-3,4-dihydrocarbazole?
The canonical SMILES for 9-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-3-phenyl-3,4-dihydrocarbazole is C1=CC(c2ccccc2)Cc2c1n(-c1cccc(C3NC(c4ccccc4)NC(c4ccccc4)N3)c1)c1ccccc21.
What is the InChIKey of 9-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-3-phenyl-3,4-dihydrocarbazole?
The InChIKey is CBMTZFMLYZNQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N4/c1-4-13-27(14-5-1)30-23-24-36-34(26-30)33-21-10-11-22-35(33)43(36)32-20-12-19-31(25-32)39-41-37(28-15-6-2-7-16-28)40-38(42-39)29-17-8-3-9-18-29/h1-25,30,37-42H,26H2.
What are the key properties of 9-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-3-phenyl-3,4-dihydrocarbazole?
9-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-3-phenyl-3,4-dihydrocarbazole has a molecular weight of 558.73 g/mol, XLogP of 8.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-3-phenyl-3,4-dihydrocarbazole is sourced from PubChem (CID 145085569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).