2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

C46H32N10 — CID 134293067

IUPAC2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
SMILESCc1nc(C)nc(-c2ccc3c4ccccc4n(-c4cc(-c5ccncc5)cc(-n5c6ccccc6c6ccc(-c7nc(C)nc(C)n7)cc65)c4C#N)c3c2)n1
InChIInChI=1S/C46H32N10/c1-26-49-27(2)52-45(51-26)31-13-15-36-34-9-5-7-11-39(34)55(41(36)21-31)43-23-33(30-17-19-48-20-18-30)24-44(38(43)25-47)56-40-12-8-6-10-35(40)37-16-14-32(22-42(37)56)46-53-28(3)50-29(4)54-46/h5-24H,1-4H3
InChIKeyPTNAKVJBZRUUHA-UHFFFAOYSA-N
MW724.83 g/mol
LogP9.75
Rot. Bonds5

About 2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (PubChem CID 134293067) has the molecular formula C46H32N10 and a molecular weight of 724.83 g/mol. Its IUPAC name is 2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
PubChem CID134293067
Molecular FormulaC46H32N10
Molecular Weight724.83 g/mol
Exact Mass724.28
IUPAC Name2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
SMILESCc1nc(C)nc(-c2ccc3c4ccccc4n(-c4cc(-c5ccncc5)cc(-n5c6ccccc6c6ccc(-c7nc(C)nc(C)n7)cc65)c4C#N)c3c2)n1
InChIInChI=1S/C46H32N10/c1-26-49-27(2)52-45(51-26)31-13-15-36-34-9-5-7-11-39(34)55(41(36)21-31)43-23-33(30-17-19-48-20-18-30)24-44(38(43)25-47)56-40-12-8-6-10-35(40)37-16-14-32(22-42(37)56)46-53-28(3)50-29(4)54-46/h5-24H,1-4H3
InChIKeyPTNAKVJBZRUUHA-UHFFFAOYSA-N
XLogP9.75
TPSA123.88 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.83
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile 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

4-(4,6-dimethylpyrimidin-2-yl)-2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 155217685
4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 134508031
2,6-bis(2-methylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292741
2,6-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134301953
2,6-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile
CID 155217681
2,6-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 155217683
2,6-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134296278
4-pyridin-4-yl-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 134292587
4-(3-cyanophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 155646771
4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[2-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 140871885
5-[9-[2-cyano-5-(3,5-dicyanophenyl)-3-[2-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 139538914
4-(3-cyanophenyl)-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 146238092

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The IUPAC name of 2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (CID 134293067) is 2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The canonical SMILES for 2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is Cc1nc(C)nc(-c2ccc3c4ccccc4n(-c4cc(-c5ccncc5)cc(-n5c6ccccc6c6ccc(-c7nc(C)nc(C)n7)cc65)c4C#N)c3c2)n1.
What is the InChIKey of 2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The InChIKey is PTNAKVJBZRUUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N10/c1-26-49-27(2)52-45(51-26)31-13-15-36-34-9-5-7-11-39(34)55(41(36)21-31)43-23-33(30-17-19-48-20-18-30)24-44(38(43)25-47)56-40-12-8-6-10-35(40)37-16-14-32(22-42(37)56)46-53-28(3)50-29(4)54-46/h5-24H,1-4H3.
What are the key properties of 2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile has a molecular weight of 724.83 g/mol, XLogP of 9.75, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 134293067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).