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

C70H48N6 — CID 169059992

IUPAC2-(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
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5(C)C)c2C#N)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C70H48N6/c1-69(2)56-29-15-11-24-46(56)51-39-64-53(37-58(51)69)48-26-13-17-31-60(48)75(64)62-33-19-28-45(55(62)41-71)44-34-35-50(68-73-66(42-20-7-5-8-21-42)72-67(74-68)43-22-9-6-10-23-43)63(36-44)76-61-32-18-14-27-49(61)54-38-59-52(40-65(54)76)47-25-12-16-30-57(47)70(59,3)4/h5-40H,1-4H3
InChIKeyLPQSGZVYIKVEDV-UHFFFAOYSA-N
MW973.20 g/mol
LogP17.22
Rot. Bonds6

About 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

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 (PubChem CID 169059992) has the molecular formula C70H48N6 and a molecular weight of 973.20 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID169059992
Molecular FormulaC70H48N6
Molecular Weight973.20 g/mol
Exact Mass972.39
IUPAC Name2-(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
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5(C)C)c2C#N)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C70H48N6/c1-69(2)56-29-15-11-24-46(56)51-39-64-53(37-58(51)69)48-26-13-17-31-60(48)75(64)62-33-19-28-45(55(62)41-71)44-34-35-50(68-73-66(42-20-7-5-8-21-42)72-67(74-68)43-22-9-6-10-23-43)63(36-44)76-61-32-18-14-27-49(61)54-38-59-52(40-65(54)76)47-25-12-16-30-57(47)70(59,3)4/h5-40H,1-4H3
InChIKeyLPQSGZVYIKVEDV-UHFFFAOYSA-N
XLogP17.22
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.20
LogP ≤ 517.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 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
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126592339
2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 169059867
9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 171724613
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 58059235
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-[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-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 169060002
2-carbazol-9-yl-5-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)benzene-1,4-dicarbonitrile
CID 121328841
5-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 149412485
5-[4-(3,5-diphenylphenyl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 158211170
4-[4-[4-(2-cyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
CID 170664779

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5(C)C)c2C#N)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 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?
The InChIKey is LPQSGZVYIKVEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N6/c1-69(2)56-29-15-11-24-46(56)51-39-64-53(37-58(51)69)48-26-13-17-31-60(48)75(64)62-33-19-28-45(55(62)41-71)44-34-35-50(68-73-66(42-20-7-5-8-21-42)72-67(74-68)43-22-9-6-10-23-43)63(36-44)76-61-32-18-14-27-49(61)54-38-59-52(40-65(54)76)47-25-12-16-30-57(47)70(59,3)4/h5-40H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 973.20 g/mol, XLogP of 17.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169059992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).