3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-pyridinyl]benzonitrile

C46H32N10 — CID 142495034

About 3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-pyridinyl]benzonitrile

3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-pyridinyl]benzonitrile (PubChem CID 142495034) has the molecular formula C46H32N10 and a molecular weight of 724.83 g/mol. Its IUPAC name is 3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-pyridinyl]benzonitrile.

Molecular Properties

• Compound Name: 3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-pyridinyl]benzonitrile
• PubChem CID: 142495034
• Molecular Formula: C46H32N10
• Molecular Weight: 724.83 g/mol
• Exact Mass: 724.28
• IUPAC Name: 3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-pyridinyl]benzonitrile
• SMILES: Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccncc2-c2ccc(C#N)cc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1
• InChI: InChI=1S/C46H32N10/c1-26-49-27(2)52-45(51-26)31-14-17-41-36(22-31)33-9-5-7-11-39(33)55(41)43-19-20-48-25-38(43)35-16-13-30(24-47)21-44(35)56-40-12-8-6-10-34(40)37-23-32(15-18-42(37)56)46-53-28(3)50-29(4)54-46/h5-23,25H,1-4H3
• InChIKey: QTXKBWXJFFQSRY-UHFFFAOYSA-N
• XLogP: 9.75
• TPSA: 123.88 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.83
LogP ≤ 5	9.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-pyridinyl]benzonitrile?

The IUPAC name of 3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-pyridinyl]benzonitrile (CID 142495034) is 3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-pyridinyl]benzonitrile.

What is the SMILES notation for 3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-pyridinyl]benzonitrile?

The canonical SMILES for 3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-pyridinyl]benzonitrile is Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccncc2-c2ccc(C#N)cc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.

What is the InChIKey of 3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-pyridinyl]benzonitrile?

The InChIKey is QTXKBWXJFFQSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N10/c1-26-49-27(2)52-45(51-26)31-14-17-41-36(22-31)33-9-5-7-11-39(33)55(41)43-19-20-48-25-38(43)35-16-13-30(24-47)21-44(35)56-40-12-8-6-10-34(40)37-23-32(15-18-42(37)56)46-53-28(3)50-29(4)54-46/h5-23,25H,1-4H3.

What are the key properties of 3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-pyridinyl]benzonitrile?

3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-pyridinyl]benzonitrile 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 3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-pyridinyl]benzonitrile is sourced from PubChem (CID 142495034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).