9-[4-cyclopenta-2,4-dien-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole

C32H22N4 — CID 170263459

IUPAC9-[4-cyclopenta-2,4-dien-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESC1=CC(c2nc(-c3cccc(-c4ccccc4)c3)nc(-n3c4ccccc4c4ccccc43)n2)C=C1
InChIInChI=1S/C32H22N4/c1-2-11-22(12-3-1)24-15-10-16-25(21-24)31-33-30(23-13-4-5-14-23)34-32(35-31)36-28-19-8-6-17-26(28)27-18-7-9-20-29(27)36/h1-21,23H
InChIKeySJNCICGJBZBYPP-UHFFFAOYSA-N
MW462.56 g/mol
LogP7.51
Rot. Bonds4

About 9-[4-cyclopenta-2,4-dien-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole

9-[4-cyclopenta-2,4-dien-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 170263459) has the molecular formula C32H22N4 and a molecular weight of 462.56 g/mol. Its IUPAC name is 9-[4-cyclopenta-2,4-dien-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-cyclopenta-2,4-dien-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
PubChem CID170263459
Molecular FormulaC32H22N4
Molecular Weight462.56 g/mol
Exact Mass462.18
IUPAC Name9-[4-cyclopenta-2,4-dien-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESC1=CC(c2nc(-c3cccc(-c4ccccc4)c3)nc(-n3c4ccccc4c4ccccc43)n2)C=C1
InChIInChI=1S/C32H22N4/c1-2-11-22(12-3-1)24-15-10-16-25(21-24)31-33-30(23-13-4-5-14-23)34-32(35-31)36-28-19-8-6-17-26(28)27-18-7-9-20-29(27)36/h1-21,23H
InChIKeySJNCICGJBZBYPP-UHFFFAOYSA-N
XLogP7.51
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.56
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-cyclopenta-2,4-dien-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]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

9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 176831267
9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742634
9-[4-carbazol-9-yl-6-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742666
9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413
9-[4-carbazol-9-yl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742616
9-[4-carbazol-9-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742506
9-[4-carbazol-9-yl-6-[4-[3-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-5-(3,5-diphenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 58943291
9-[4-carbazol-9-yl-6-[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742447
[3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 166016230
9-[4-[3-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 163436975
9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303352
9-[4-carbazol-9-yl-6-[3-[2-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742511

Frequently Asked Questions

What is the IUPAC name of 9-[4-cyclopenta-2,4-dien-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-cyclopenta-2,4-dien-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (CID 170263459) is 9-[4-cyclopenta-2,4-dien-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-cyclopenta-2,4-dien-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-cyclopenta-2,4-dien-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is C1=CC(c2nc(-c3cccc(-c4ccccc4)c3)nc(-n3c4ccccc4c4ccccc43)n2)C=C1.
What is the InChIKey of 9-[4-cyclopenta-2,4-dien-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is SJNCICGJBZBYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N4/c1-2-11-22(12-3-1)24-15-10-16-25(21-24)31-33-30(23-13-4-5-14-23)34-32(35-31)36-28-19-8-6-17-26(28)27-18-7-9-20-29(27)36/h1-21,23H.
What are the key properties of 9-[4-cyclopenta-2,4-dien-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
9-[4-cyclopenta-2,4-dien-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 462.56 g/mol, XLogP of 7.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-cyclopenta-2,4-dien-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 170263459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).