3-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-9-methylcarbazole

C29H22N4 — CID 144884574

IUPAC3-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-9-methylcarbazole
SMILESCn1c2ccccc2c2cc(Cc3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C29H22N4/c1-33-25-15-9-8-14-23(25)24-18-20(16-17-26(24)33)19-27-30-28(21-10-4-2-5-11-21)32-29(31-27)22-12-6-3-7-13-22/h2-18H,19H2,1H3
InChIKeyRPAKESGZGPJGHL-UHFFFAOYSA-N
MW426.52 g/mol
LogP6.44
Rot. Bonds4

About 3-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-9-methylcarbazole

3-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-9-methylcarbazole (PubChem CID 144884574) has the molecular formula C29H22N4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-9-methylcarbazole.

Molecular Properties

Compound Name3-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-9-methylcarbazole
PubChem CID144884574
Molecular FormulaC29H22N4
Molecular Weight426.52 g/mol
Exact Mass426.18
IUPAC Name3-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-9-methylcarbazole
SMILESCn1c2ccccc2c2cc(Cc3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C29H22N4/c1-33-25-15-9-8-14-23(25)24-18-20(16-17-26(24)33)19-27-30-28(21-10-4-2-5-11-21)32-29(31-27)22-12-6-3-7-13-22/h2-18H,19H2,1H3
InChIKeyRPAKESGZGPJGHL-UHFFFAOYSA-N
XLogP6.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-9-methylcarbazole 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-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane;9-methylcarbazole
CID 160749853
3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-9-phenylcarbazole
CID 146522579
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
4-[9-[4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 161007290
3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propyl]-9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazole
CID 59412008
9-[4-[4-[[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]phenyl]carbazole
CID 146506354
N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine
CID 23264168
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815
2-[[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58299195
3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[3-(9-methylcarbazol-3-yl)phenyl]carbazole
CID 118149534

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-9-methylcarbazole?
The IUPAC name of 3-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-9-methylcarbazole (CID 144884574) is 3-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-9-methylcarbazole.
What is the SMILES notation for 3-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-9-methylcarbazole?
The canonical SMILES for 3-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-9-methylcarbazole is Cn1c2ccccc2c2cc(Cc3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 3-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-9-methylcarbazole?
The InChIKey is RPAKESGZGPJGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N4/c1-33-25-15-9-8-14-23(25)24-18-20(16-17-26(24)33)19-27-30-28(21-10-4-2-5-11-21)32-29(31-27)22-12-6-3-7-13-22/h2-18H,19H2,1H3.
What are the key properties of 3-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-9-methylcarbazole?
3-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-9-methylcarbazole has a molecular weight of 426.52 g/mol, XLogP of 6.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-9-methylcarbazole is sourced from PubChem (CID 144884574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).