5-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-8,9-dihydroindeno[2,1-b]carbazole

C42H31N5 — CID 166914013

IUPAC5-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-8,9-dihydroindeno[2,1-b]carbazole
SMILESCC1(C)C2=C(C=CCC2)c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)c3cc21
InChIInChI=1S/C42H31N5/c1-42(2)33-20-10-6-16-27(33)31-24-32-30-19-9-13-23-37(30)47(38(32)25-34(31)42)41-44-39(26-14-4-3-5-15-26)43-40(45-41)46-35-21-11-7-17-28(35)29-18-8-12-22-36(29)46/h3-9,11-19,21-25H,10,20H2,1-2H3
InChIKeyQTJDMNONWGCQDO-UHFFFAOYSA-N
MW605.75 g/mol
LogP10.13
Rot. Bonds3

About 5-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-8,9-dihydroindeno[2,1-b]carbazole

5-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-8,9-dihydroindeno[2,1-b]carbazole (PubChem CID 166914013) has the molecular formula C42H31N5 and a molecular weight of 605.75 g/mol. Its IUPAC name is 5-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-8,9-dihydroindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-8,9-dihydroindeno[2,1-b]carbazole
PubChem CID166914013
Molecular FormulaC42H31N5
Molecular Weight605.75 g/mol
Exact Mass605.26
IUPAC Name5-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-8,9-dihydroindeno[2,1-b]carbazole
SMILESCC1(C)C2=C(C=CCC2)c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)c3cc21
InChIInChI=1S/C42H31N5/c1-42(2)33-20-10-6-16-27(33)31-24-32-30-19-9-13-23-37(30)47(38(32)25-34(31)42)41-44-39(26-14-4-3-5-15-26)43-40(45-41)46-35-21-11-7-17-28(35)29-18-8-12-22-36(29)46/h3-9,11-19,21-25H,10,20H2,1-2H3
InChIKeyQTJDMNONWGCQDO-UHFFFAOYSA-N
XLogP10.13
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.75
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-8,9-dihydroindeno[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)-7,7-dimethyl-8,9,10,11-tetrahydroindeno[2,1-b]carbazole
CID 90055180
7,7-dimethyl-5-(4-methylphenyl)-8,9-dihydroindeno[2,1-b]carbazole
CID 170390566
1-dibenzothiophen-3-yl-9-[4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 149201832
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole
CID 126543755
5-[4-(7,7-diphenyl-1,2-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole
CID 134447533
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7,8-trimethylindeno[2,1-b]carbazole
CID 170201877
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
2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66804832
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-(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-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;methane
CID 160846132
5-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014138

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-8,9-dihydroindeno[2,1-b]carbazole?
The IUPAC name of 5-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-8,9-dihydroindeno[2,1-b]carbazole (CID 166914013) is 5-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-8,9-dihydroindeno[2,1-b]carbazole.
What is the SMILES notation for 5-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-8,9-dihydroindeno[2,1-b]carbazole?
The canonical SMILES for 5-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-8,9-dihydroindeno[2,1-b]carbazole is CC1(C)C2=C(C=CCC2)c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)c3cc21.
What is the InChIKey of 5-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-8,9-dihydroindeno[2,1-b]carbazole?
The InChIKey is QTJDMNONWGCQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N5/c1-42(2)33-20-10-6-16-27(33)31-24-32-30-19-9-13-23-37(30)47(38(32)25-34(31)42)41-44-39(26-14-4-3-5-15-26)43-40(45-41)46-35-21-11-7-17-28(35)29-18-8-12-22-36(29)46/h3-9,11-19,21-25H,10,20H2,1-2H3.
What are the key properties of 5-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-8,9-dihydroindeno[2,1-b]carbazole?
5-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-8,9-dihydroindeno[2,1-b]carbazole has a molecular weight of 605.75 g/mol, XLogP of 10.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-8,9-dihydroindeno[2,1-b]carbazole is sourced from PubChem (CID 166914013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).