5-[2-[3-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile

C60H34N8 — CID 164743999

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

5-[2-[3-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile (PubChem CID 164743999) has the molecular formula C60H34N8 and a molecular weight of 866.99 g/mol. Its IUPAC name is 5-[2-[3-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 5-[2-[3-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
• PubChem CID: 164743999
• Molecular Formula: C60H34N8
• Molecular Weight: 866.99 g/mol
• Exact Mass: 866.29
• IUPAC Name: 5-[2-[3-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
• SMILES: N#Cc1cc(C#N)cc(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc32)c1
• InChI: InChI=1S/C60H34N8/c61-35-38-23-26-55(49(32-38)45-30-39(36-62)29-40(31-45)37-63)68-54-22-12-9-19-48(54)50-33-43(24-27-56(50)68)44-25-28-57(67-52-20-10-7-17-46(52)47-18-8-11-21-53(47)67)51(34-44)60-65-58(41-13-3-1-4-14-41)64-59(66-60)42-15-5-2-6-16-42/h1-34H
• InChIKey: VHSARMSBEVZEPX-UHFFFAOYSA-N
• XLogP: 14.02
• TPSA: 119.90 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	866.99
LogP ≤ 5	14.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[2-[3-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile (CID 164743999) is 5-[2-[3-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile.

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

The canonical SMILES for 5-[2-[3-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc32)c1.

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

The InChIKey is VHSARMSBEVZEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34N8/c61-35-38-23-26-55(49(32-38)45-30-39(36-62)29-40(31-45)37-63)68-54-22-12-9-19-48(54)50-33-43(24-27-56(50)68)44-25-28-57(67-52-20-10-7-17-46(52)47-18-8-11-21-53(47)67)51(34-44)60-65-58(41-13-3-1-4-14-41)64-59(66-60)42-15-5-2-6-16-42/h1-34H.

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

5-[2-[3-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile has a molecular weight of 866.99 g/mol, XLogP of 14.02, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 164743999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).