2-[9-[4-cyano-3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile

C70H34N12 — CID 155003281

About 2-[9-[4-cyano-3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile

2-[9-[4-cyano-3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile (PubChem CID 155003281) has the molecular formula C70H34N12 and a molecular weight of 1043.13 g/mol. Its IUPAC name is 2-[9-[4-cyano-3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile.

Molecular Properties

• Compound Name: 2-[9-[4-cyano-3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile
• PubChem CID: 155003281
• Molecular Formula: C70H34N12
• Molecular Weight: 1043.13 g/mol
• Exact Mass: 1042.30
• IUPAC Name: 2-[9-[4-cyano-3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile
• SMILES: N#Cc1cc(C#N)c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)c(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cc(-c5c(C#N)cc(C#N)cc5C#N)ccc43)c2)c(C#N)c1
• InChI: InChI=1S/C70H34N12/c71-35-42-27-50(38-74)66(51(28-42)39-75)46-20-24-63-58(31-46)55-15-7-9-17-61(55)81(63)54-23-19-49(37-73)57(34-54)60-33-48(70-79-68(44-11-3-1-4-12-44)78-69(80-70)45-13-5-2-6-14-45)22-26-65(60)82-62-18-10-8-16-56(62)59-32-47(21-25-64(59)82)67-52(40-76)29-43(36-72)30-53(67)41-77/h1-34H
• InChIKey: GWIYUBZOIIJGMB-UHFFFAOYSA-N
• XLogP: 15.17
• TPSA: 215.06 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1043.13
LogP ≤ 5	15.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-cyano-3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile?

The IUPAC name of 2-[9-[4-cyano-3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile (CID 155003281) is 2-[9-[4-cyano-3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile.

What is the SMILES notation for 2-[9-[4-cyano-3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile?

The canonical SMILES for 2-[9-[4-cyano-3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile is N#Cc1cc(C#N)c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)c(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cc(-c5c(C#N)cc(C#N)cc5C#N)ccc43)c2)c(C#N)c1.

What is the InChIKey of 2-[9-[4-cyano-3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile?

The InChIKey is GWIYUBZOIIJGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H34N12/c71-35-42-27-50(38-74)66(51(28-42)39-75)46-20-24-63-58(31-46)55-15-7-9-17-61(55)81(63)54-23-19-49(37-73)57(34-54)60-33-48(70-79-68(44-11-3-1-4-12-44)78-69(80-70)45-13-5-2-6-14-45)22-26-65(60)82-62-18-10-8-16-56(62)59-32-47(21-25-64(59)82)67-52(40-76)29-43(36-72)30-53(67)41-77/h1-34H.

What are the key properties of 2-[9-[4-cyano-3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile?

2-[9-[4-cyano-3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile has a molecular weight of 1043.13 g/mol, XLogP of 15.17, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[4-cyano-3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile is sourced from PubChem (CID 155003281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).