5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole

C36H28N4 — CID 126543755

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole
SMILESCC1(C)C2=CCCC=C2c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21
InChIInChI=1S/C36H28N4/c1-36(2)29-19-11-9-17-25(29)27-21-28-26-18-10-12-20-31(26)40(32(28)22-30(27)36)35-38-33(23-13-5-3-6-14-23)37-34(39-35)24-15-7-4-8-16-24/h3-8,10,12-22H,9,11H2,1-2H3
InChIKeyWBSWSBLZSCLJJO-UHFFFAOYSA-N
MW516.65 g/mol
LogP8.70
Rot. Bonds3

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole (PubChem CID 126543755) has the molecular formula C36H28N4 and a molecular weight of 516.65 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole
PubChem CID126543755
Molecular FormulaC36H28N4
Molecular Weight516.65 g/mol
Exact Mass516.23
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole
SMILESCC1(C)C2=CCCC=C2c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21
InChIInChI=1S/C36H28N4/c1-36(2)29-19-11-9-17-25(29)27-21-28-26-18-10-12-20-31(26)40(32(28)22-30(27)36)35-38-33(23-13-5-3-6-14-23)37-34(39-35)24-15-7-4-8-16-24/h3-8,10,12-22H,9,11H2,1-2H3
InChIKeyWBSWSBLZSCLJJO-UHFFFAOYSA-N
XLogP8.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.65
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7,8-trimethylindeno[2,1-b]carbazole
CID 170201877
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-8,9,10,11-tetrahydroindeno[2,1-b]carbazole
CID 90055180
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
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
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
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-[3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014140
5'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 162362854
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
7,7-dimethyl-5-[4-(4-methylcyclohexen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 123146481

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole (CID 126543755) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole is CC1(C)C2=CCCC=C2c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole?
The InChIKey is WBSWSBLZSCLJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N4/c1-36(2)29-19-11-9-17-25(29)27-21-28-26-18-10-12-20-31(26)40(32(28)22-30(27)36)35-38-33(23-13-5-3-6-14-23)37-34(39-35)24-15-7-4-8-16-24/h3-8,10,12-22H,9,11H2,1-2H3.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole has a molecular weight of 516.65 g/mol, XLogP of 8.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole is sourced from PubChem (CID 126543755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).