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

C29H22N8 — CID 134508031

IUPAC4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
SMILESCc1nc(C)nc(-c2ccc(C#N)c(-n3c4ccccc4c4ccc(-c5nc(C)nc(C)n5)cc43)c2)n1
InChIInChI=1S/C29H22N8/c1-16-31-17(2)34-28(33-16)20-9-10-22(15-30)26(13-20)37-25-8-6-5-7-23(25)24-12-11-21(14-27(24)37)29-35-18(3)32-19(4)36-29/h5-14H,1-4H3
InChIKeyIRUXUPGSYBCUSB-UHFFFAOYSA-N
MW482.55 g/mol
LogP5.59
Rot. Bonds3

About 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

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 (PubChem CID 134508031) has the molecular formula C29H22N8 and a molecular weight of 482.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
PubChem CID134508031
Molecular FormulaC29H22N8
Molecular Weight482.55 g/mol
Exact Mass482.20
IUPAC Name4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
SMILESCc1nc(C)nc(-c2ccc(C#N)c(-n3c4ccccc4c4ccc(-c5nc(C)nc(C)n5)cc43)c2)n1
InChIInChI=1S/C29H22N8/c1-16-31-17(2)34-28(33-16)20-9-10-22(15-30)26(13-20)37-25-8-6-5-7-23(25)24-12-11-21(14-27(24)37)29-35-18(3)32-19(4)36-29/h5-14H,1-4H3
InChIKeyIRUXUPGSYBCUSB-UHFFFAOYSA-N
XLogP5.59
TPSA106.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.55
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[2-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 140871885
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
2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508036
2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134293067
4-(4,6-dimethylpyrimidin-2-yl)-2-(2-methylcarbazol-9-yl)benzonitrile
CID 146699426
2-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 137420905
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4,5-bis(2-phenylcarbazol-9-yl)benzonitrile
CID 138729657
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[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile
CID 155217681
2-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134512928
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazole
CID 134321401
9-[2-cyano-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-7-isocyanocarbazole-2-carbonitrile
CID 140871836

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(C)nc(-c2ccc(C#N)c(-n3c4ccccc4c4ccc(-c5nc(C)nc(C)n5)cc43)c2)n1.
What is the InChIKey of 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?
The InChIKey is IRUXUPGSYBCUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N8/c1-16-31-17(2)34-28(33-16)20-9-10-22(15-30)26(13-20)37-25-8-6-5-7-23(25)24-12-11-21(14-27(24)37)29-35-18(3)32-19(4)36-29/h5-14H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 482.55 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134508031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).