9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylphenyl]-3,6-dimethylcarbazole

C40H29N5 — CID 138579314

IUPAC9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylphenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccccn1
InChIInChI=1S/C40H29N5/c1-26-16-20-35-32(23-26)33-24-27(2)17-21-36(33)45(35)37-25-30(18-19-31(37)34-15-9-10-22-41-34)40-43-38(28-11-5-3-6-12-28)42-39(44-40)29-13-7-4-8-14-29/h3-25H,1-2H3
InChIKeyXLSPGEFQVRDNJP-UHFFFAOYSA-N
MW579.71 g/mol
LogP9.65
Rot. Bonds5

About 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylphenyl]-3,6-dimethylcarbazole

9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylphenyl]-3,6-dimethylcarbazole (PubChem CID 138579314) has the molecular formula C40H29N5 and a molecular weight of 579.71 g/mol. Its IUPAC name is 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylphenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylphenyl]-3,6-dimethylcarbazole
PubChem CID138579314
Molecular FormulaC40H29N5
Molecular Weight579.71 g/mol
Exact Mass579.24
IUPAC Name9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylphenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccccn1
InChIInChI=1S/C40H29N5/c1-26-16-20-35-32(23-26)33-24-27(2)17-21-36(33)45(35)37-25-30(18-19-31(37)34-15-9-10-22-41-34)40-43-38(28-11-5-3-6-12-28)42-39(44-40)29-13-7-4-8-14-29/h3-25H,1-2H3
InChIKeyXLSPGEFQVRDNJP-UHFFFAOYSA-N
XLogP9.65
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.71
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylphenyl]-3,6-dimethylcarbazole 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(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylphenyl]carbazole
CID 138578488
3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
CID 138578511
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-2-ylphenyl]-3-(2-methylphenyl)carbazole
CID 142597624
9-[4-(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 146512114
3-(2,4-dimethylphenyl)-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-2-ylphenyl]carbazole
CID 142597636
9-[2-[3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
CID 162500648
3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
CID 138578744
9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-methylcarbazole
CID 156679474
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
CID 138578689
9-[2-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole
CID 138554635
9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridin-2-ylphenyl]-3-phenylcarbazole
CID 138663031
9-[2-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 158207837

Frequently Asked Questions

What is the IUPAC name of 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylphenyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylphenyl]-3,6-dimethylcarbazole (CID 138579314) is 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylphenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylphenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylphenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccccn1.
What is the InChIKey of 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylphenyl]-3,6-dimethylcarbazole?
The InChIKey is XLSPGEFQVRDNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N5/c1-26-16-20-35-32(23-26)33-24-27(2)17-21-36(33)45(35)37-25-30(18-19-31(37)34-15-9-10-22-41-34)40-43-38(28-11-5-3-6-12-28)42-39(44-40)29-13-7-4-8-14-29/h3-25H,1-2H3.
What are the key properties of 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylphenyl]-3,6-dimethylcarbazole?
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylphenyl]-3,6-dimethylcarbazole has a molecular weight of 579.71 g/mol, XLogP of 9.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylphenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 138579314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).