3-[6-[3-(11,11-dimethyl-9,10-dihydroindeno[1,2-b]carbazol-5-yl)phenyl]-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]benzonitrile

C43H33N5 — CID 144943179

IUPAC3-[6-[3-(11,11-dimethyl-9,10-dihydroindeno[1,2-b]carbazol-5-yl)phenyl]-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]benzonitrile
SMILESCC1(C)C2=C(C=CCC2)c2cc3c(cc21)c1ccccc1n3-c1cccc(C2=NC(c3ccccc3)N=C(c3cccc(C#N)c3)N2)c1
InChIInChI=1S/C43H33N5/c1-43(2)36-20-8-6-18-32(36)34-25-39-35(24-37(34)43)33-19-7-9-21-38(33)48(39)31-17-11-16-30(23-31)42-46-40(28-13-4-3-5-14-28)45-41(47-42)29-15-10-12-27(22-29)26-44/h3-7,9-19,21-25,40H,8,20H2,1-2H3,(H,45,46,47)
InChIKeyROYBDHDWGATTQB-UHFFFAOYSA-N
MW619.77 g/mol
LogP9.55
Rot. Bonds4

About 3-[6-[3-(11,11-dimethyl-9,10-dihydroindeno[1,2-b]carbazol-5-yl)phenyl]-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]benzonitrile

3-[6-[3-(11,11-dimethyl-9,10-dihydroindeno[1,2-b]carbazol-5-yl)phenyl]-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]benzonitrile (PubChem CID 144943179) has the molecular formula C43H33N5 and a molecular weight of 619.77 g/mol. Its IUPAC name is 3-[6-[3-(11,11-dimethyl-9,10-dihydroindeno[1,2-b]carbazol-5-yl)phenyl]-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[6-[3-(11,11-dimethyl-9,10-dihydroindeno[1,2-b]carbazol-5-yl)phenyl]-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]benzonitrile
PubChem CID144943179
Molecular FormulaC43H33N5
Molecular Weight619.77 g/mol
Exact Mass619.27
IUPAC Name3-[6-[3-(11,11-dimethyl-9,10-dihydroindeno[1,2-b]carbazol-5-yl)phenyl]-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]benzonitrile
SMILESCC1(C)C2=C(C=CCC2)c2cc3c(cc21)c1ccccc1n3-c1cccc(C2=NC(c3ccccc3)N=C(c3cccc(C#N)c3)N2)c1
InChIInChI=1S/C43H33N5/c1-43(2)36-20-8-6-18-32(36)34-25-39-35(24-37(34)43)33-19-7-9-21-38(33)48(39)31-17-11-16-30(23-31)42-46-40(28-13-4-3-5-14-28)45-41(47-42)29-15-10-12-27(22-29)26-44/h3-7,9-19,21-25,40H,8,20H2,1-2H3,(H,45,46,47)
InChIKeyROYBDHDWGATTQB-UHFFFAOYSA-N
XLogP9.55
TPSA65.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.77
LogP ≤ 59.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[6-[3-(11,11-dimethyl-9,10-dihydroindeno[1,2-b]carbazol-5-yl)phenyl]-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]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

10-[2-(3-carbazol-9-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]triphenylene-2-carbonitrile
CID 139356615
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
5'-(3,5-diphenylphenyl)spiro[1,2,7,8-tetrahydrofluorene-9,11'-9,10-dihydroindeno[1,2-b]carbazole]
CID 131969730
7,7-dimethyl-5-(4-methylphenyl)-8,9-dihydroindeno[2,1-b]carbazole
CID 170390566
7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole
CID 139418350
3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-3,5-diaza-1-azanidacyclohex-3-en-2-yl]benzonitrile
CID 144943202
2-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine
CID 146359376
3-[2-[3-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]-6-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyrimidin-4-yl]benzonitrile
CID 121343813
3-[4-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]benzonitrile
CID 159040937
3-[3-[9-[4-(4-phenylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-9-yl]benzonitrile
CID 163484812
11-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 130181306
3-carbazol-9-yl-5-[3-cyano-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile
CID 168783318

Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-(11,11-dimethyl-9,10-dihydroindeno[1,2-b]carbazol-5-yl)phenyl]-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]benzonitrile?
The IUPAC name of 3-[6-[3-(11,11-dimethyl-9,10-dihydroindeno[1,2-b]carbazol-5-yl)phenyl]-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]benzonitrile (CID 144943179) is 3-[6-[3-(11,11-dimethyl-9,10-dihydroindeno[1,2-b]carbazol-5-yl)phenyl]-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]benzonitrile.
What is the SMILES notation for 3-[6-[3-(11,11-dimethyl-9,10-dihydroindeno[1,2-b]carbazol-5-yl)phenyl]-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]benzonitrile?
The canonical SMILES for 3-[6-[3-(11,11-dimethyl-9,10-dihydroindeno[1,2-b]carbazol-5-yl)phenyl]-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]benzonitrile is CC1(C)C2=C(C=CCC2)c2cc3c(cc21)c1ccccc1n3-c1cccc(C2=NC(c3ccccc3)N=C(c3cccc(C#N)c3)N2)c1.
What is the InChIKey of 3-[6-[3-(11,11-dimethyl-9,10-dihydroindeno[1,2-b]carbazol-5-yl)phenyl]-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]benzonitrile?
The InChIKey is ROYBDHDWGATTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N5/c1-43(2)36-20-8-6-18-32(36)34-25-39-35(24-37(34)43)33-19-7-9-21-38(33)48(39)31-17-11-16-30(23-31)42-46-40(28-13-4-3-5-14-28)45-41(47-42)29-15-10-12-27(22-29)26-44/h3-7,9-19,21-25,40H,8,20H2,1-2H3,(H,45,46,47).
What are the key properties of 3-[6-[3-(11,11-dimethyl-9,10-dihydroindeno[1,2-b]carbazol-5-yl)phenyl]-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]benzonitrile?
3-[6-[3-(11,11-dimethyl-9,10-dihydroindeno[1,2-b]carbazol-5-yl)phenyl]-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]benzonitrile has a molecular weight of 619.77 g/mol, XLogP of 9.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-(11,11-dimethyl-9,10-dihydroindeno[1,2-b]carbazol-5-yl)phenyl]-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]benzonitrile is sourced from PubChem (CID 144943179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).