7,7-dimethyl-5-[4-(4-methylcyclohexen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole

C37H32N4 — CID 123146481

IUPAC7,7-dimethyl-5-[4-(4-methylcyclohexen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
SMILESCC1CC=C(c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)C(C)(C)c3ccccc3-5)n2)CC1
InChIInChI=1S/C37H32N4/c1-23-17-19-25(20-18-23)35-38-34(24-11-5-4-6-12-24)39-36(40-35)41-32-16-10-8-14-27(32)29-21-28-26-13-7-9-15-30(26)37(2,3)31(28)22-33(29)41/h4-16,19,21-23H,17-18,20H2,1-3H3
InChIKeyZFJMREWLAOJJLL-UHFFFAOYSA-N
MW532.69 g/mol
LogP9.15
Rot. Bonds3

About 7,7-dimethyl-5-[4-(4-methylcyclohexen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole

7,7-dimethyl-5-[4-(4-methylcyclohexen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole (PubChem CID 123146481) has the molecular formula C37H32N4 and a molecular weight of 532.69 g/mol. Its IUPAC name is 7,7-dimethyl-5-[4-(4-methylcyclohexen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-[4-(4-methylcyclohexen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
PubChem CID123146481
Molecular FormulaC37H32N4
Molecular Weight532.69 g/mol
Exact Mass532.26
IUPAC Name7,7-dimethyl-5-[4-(4-methylcyclohexen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
SMILESCC1CC=C(c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)C(C)(C)c3ccccc3-5)n2)CC1
InChIInChI=1S/C37H32N4/c1-23-17-19-25(20-18-23)35-38-34(24-11-5-4-6-12-24)39-36(40-35)41-32-16-10-8-14-27(32)29-21-28-26-13-7-9-15-30(26)37(2,3)31(28)22-33(29)41/h4-16,19,21-23H,17-18,20H2,1-3H3
InChIKeyZFJMREWLAOJJLL-UHFFFAOYSA-N
XLogP9.15
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7,7-dimethyl-5-[4-(4-methylcyclohexen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indeno[2,1-b]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

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 87159836
5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 159343293
5-[2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014487
2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66804832
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;methane
CID 160846132
2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 157062931
5-[3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014140
7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 130209432
2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-8-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 66797829
7,7-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole;ethane
CID 142377951
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126592339
5'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 162362854

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-[4-(4-methylcyclohexen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-[4-(4-methylcyclohexen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole (CID 123146481) is 7,7-dimethyl-5-[4-(4-methylcyclohexen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-[4-(4-methylcyclohexen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-[4-(4-methylcyclohexen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole is CC1CC=C(c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)C(C)(C)c3ccccc3-5)n2)CC1.
What is the InChIKey of 7,7-dimethyl-5-[4-(4-methylcyclohexen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole?
The InChIKey is ZFJMREWLAOJJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N4/c1-23-17-19-25(20-18-23)35-38-34(24-11-5-4-6-12-24)39-36(40-35)41-32-16-10-8-14-27(32)29-21-28-26-13-7-9-15-30(26)37(2,3)31(28)22-33(29)41/h4-16,19,21-23H,17-18,20H2,1-3H3.
What are the key properties of 7,7-dimethyl-5-[4-(4-methylcyclohexen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole?
7,7-dimethyl-5-[4-(4-methylcyclohexen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole has a molecular weight of 532.69 g/mol, XLogP of 9.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-[4-(4-methylcyclohexen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole is sourced from PubChem (CID 123146481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).