5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7,7-dimethylindeno[2,1-b]carbazole

C48H34N4 — CID 126592339

IUPAC5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5ccccc5)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21
InChIInChI=1S/C48H34N4/c1-48(2)40-24-14-12-22-35(40)38-29-39-36-23-13-15-25-42(36)52(44(39)30-41(38)48)43-28-34(31-16-6-3-7-17-31)26-27-37(43)47-50-45(32-18-8-4-9-19-32)49-46(51-47)33-20-10-5-11-21-33/h3-30H,1-2H3
InChIKeyKBJLYBKRXDJFIK-UHFFFAOYSA-N
MW666.83 g/mol
LogP11.94
Rot. Bonds5

About 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7,7-dimethylindeno[2,1-b]carbazole

5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 126592339) has the molecular formula C48H34N4 and a molecular weight of 666.83 g/mol. Its IUPAC name is 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID126592339
Molecular FormulaC48H34N4
Molecular Weight666.83 g/mol
Exact Mass666.28
IUPAC Name5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5ccccc5)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21
InChIInChI=1S/C48H34N4/c1-48(2)40-24-14-12-22-35(40)38-29-39-36-23-13-15-25-42(36)52(44(39)30-41(38)48)43-28-34(31-16-6-3-7-17-31)26-27-37(43)47-50-45(32-18-8-4-9-19-32)49-46(51-47)33-20-10-5-11-21-33/h3-30H,1-2H3
InChIKeyKBJLYBKRXDJFIK-UHFFFAOYSA-N
XLogP11.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.83
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7,7-dimethylindeno[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-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146535436
9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 171724613
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-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-naphthalen-1-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126592268
5-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 165154807
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-[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-[3-carbazol-9-yl-5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146535003
2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-6-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 169059992
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
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;methane
CID 160846132

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7,7-dimethylindeno[2,1-b]carbazole (CID 126592339) is 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5ccccc5)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.
What is the InChIKey of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is KBJLYBKRXDJFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4/c1-48(2)40-24-14-12-22-35(40)38-29-39-36-23-13-15-25-42(36)52(44(39)30-41(38)48)43-28-34(31-16-6-3-7-17-31)26-27-37(43)47-50-45(32-18-8-4-9-19-32)49-46(51-47)33-20-10-5-11-21-33/h3-30H,1-2H3.
What are the key properties of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7,7-dimethylindeno[2,1-b]carbazole?
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 666.83 g/mol, XLogP of 11.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 126592339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).