1-[4-[3-[[2-(2-methylphenyl)phenyl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole

C41H30N4 — CID 163586417

IUPAC1-[4-[3-[[2-(2-methylphenyl)phenyl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole
SMILESCc1ccccc1-c1ccccc1Cc1cccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3[nH]c3ccccc34)n2)c1
InChIInChI=1S/C41H30N4/c1-27-13-5-7-19-32(27)33-20-8-6-17-30(33)25-28-14-11-18-31(26-28)40-43-39(29-15-3-2-4-16-29)44-41(45-40)36-23-12-22-35-34-21-9-10-24-37(34)42-38(35)36/h2-24,26,42H,25H2,1H3
InChIKeyGLWGDBTWHPXIEM-UHFFFAOYSA-N
MW578.72 g/mol
LogP10.07
Rot. Bonds6

About 1-[4-[3-[[2-(2-methylphenyl)phenyl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole

1-[4-[3-[[2-(2-methylphenyl)phenyl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole (PubChem CID 163586417) has the molecular formula C41H30N4 and a molecular weight of 578.72 g/mol. Its IUPAC name is 1-[4-[3-[[2-(2-methylphenyl)phenyl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole.

Molecular Properties

Compound Name1-[4-[3-[[2-(2-methylphenyl)phenyl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole
PubChem CID163586417
Molecular FormulaC41H30N4
Molecular Weight578.72 g/mol
Exact Mass578.25
IUPAC Name1-[4-[3-[[2-(2-methylphenyl)phenyl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole
SMILESCc1ccccc1-c1ccccc1Cc1cccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3[nH]c3ccccc34)n2)c1
InChIInChI=1S/C41H30N4/c1-27-13-5-7-19-32(27)33-20-8-6-17-30(33)25-28-14-11-18-31(26-28)40-43-39(29-15-3-2-4-16-29)44-41(45-40)36-23-12-22-35-34-21-9-10-24-37(34)42-38(35)36/h2-24,26,42H,25H2,1H3
InChIKeyGLWGDBTWHPXIEM-UHFFFAOYSA-N
XLogP10.07
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.72
LogP ≤ 510.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[3-[[2-(2-methylphenyl)phenyl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9H-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

1-[4-phenyl-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]-9H-carbazole
CID 167363642
1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
CID 155673306
1,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazole
CID 118448496
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176
1-[4-[4-(9H-carbazol-1-yl)-2-methylphenyl]-3-methylphenyl]-9H-carbazole
CID 159544666
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-(4-phenylphenyl)-9H-carbazole
CID 126492498
9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole
CID 166968520
1-(6-phenyl-2-pyridinyl)-9H-carbazole
CID 171438775
1-[3-[4-[4-(3-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)-9H-carbazole
CID 126496171
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
3-[(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)methyl]-9H-carbazole
CID 153329360
1-(2-benzylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 175115962

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[[2-(2-methylphenyl)phenyl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole?
The IUPAC name of 1-[4-[3-[[2-(2-methylphenyl)phenyl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole (CID 163586417) is 1-[4-[3-[[2-(2-methylphenyl)phenyl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole.
What is the SMILES notation for 1-[4-[3-[[2-(2-methylphenyl)phenyl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole?
The canonical SMILES for 1-[4-[3-[[2-(2-methylphenyl)phenyl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole is Cc1ccccc1-c1ccccc1Cc1cccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3[nH]c3ccccc34)n2)c1.
What is the InChIKey of 1-[4-[3-[[2-(2-methylphenyl)phenyl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole?
The InChIKey is GLWGDBTWHPXIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N4/c1-27-13-5-7-19-32(27)33-20-8-6-17-30(33)25-28-14-11-18-31(26-28)40-43-39(29-15-3-2-4-16-29)44-41(45-40)36-23-12-22-35-34-21-9-10-24-37(34)42-38(35)36/h2-24,26,42H,25H2,1H3.
What are the key properties of 1-[4-[3-[[2-(2-methylphenyl)phenyl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole?
1-[4-[3-[[2-(2-methylphenyl)phenyl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole has a molecular weight of 578.72 g/mol, XLogP of 10.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[[2-(2-methylphenyl)phenyl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole is sourced from PubChem (CID 163586417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).