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

C84H40N14 — CID 155003315

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

5-[9-[2-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyanophenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile (PubChem CID 155003315) has the molecular formula C84H40N14 and a molecular weight of 1245.34 g/mol. Its IUPAC name is 5-[9-[2-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyanophenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 5-[9-[2-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyanophenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
• PubChem CID: 155003315
• Molecular Formula: C84H40N14
• Molecular Weight: 1245.34 g/mol
• Exact Mass: 1244.36
• IUPAC Name: 5-[9-[2-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyanophenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
• SMILES: N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(C#N)cc2-n2c3ccc(-c4cc(C#N)cc(C#N)c4)cc3c3cc(-c4cc(C#N)cc(C#N)c4)ccc32)c1
• InChI: InChI=1S/C84H40N14/c85-41-50-11-17-70(81(35-50)98-79-20-14-63(68-31-55(46-90)25-56(32-68)47-91)38-74(79)75-39-64(15-21-80(75)98)69-33-57(48-92)26-58(34-69)49-93)71-40-65(84-95-82(59-7-3-1-4-8-59)94-83(96-84)60-9-5-2-6-10-60)16-22-76(71)97-77-18-12-61(66-27-51(42-86)23-52(28-66)43-87)36-72(77)73-37-62(13-19-78(73)97)67-29-53(44-88)24-54(30-67)45-89/h1-40H
• InChIKey: HMRBHWCVUJPCQQ-UHFFFAOYSA-N
• XLogP: 18.25
• TPSA: 262.64 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1245.34
LogP ≤ 5	18.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of 5-[9-[2-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyanophenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile (CID 155003315) is 5-[9-[2-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyanophenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile.

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

The canonical SMILES for 5-[9-[2-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyanophenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(C#N)cc2-n2c3ccc(-c4cc(C#N)cc(C#N)c4)cc3c3cc(-c4cc(C#N)cc(C#N)c4)ccc32)c1.

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

The InChIKey is HMRBHWCVUJPCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H40N14/c85-41-50-11-17-70(81(35-50)98-79-20-14-63(68-31-55(46-90)25-56(32-68)47-91)38-74(79)75-39-64(15-21-80(75)98)69-33-57(48-92)26-58(34-69)49-93)71-40-65(84-95-82(59-7-3-1-4-8-59)94-83(96-84)60-9-5-2-6-10-60)16-22-76(71)97-77-18-12-61(66-27-51(42-86)23-52(28-66)43-87)36-72(77)73-37-62(13-19-78(73)97)67-29-53(44-88)24-54(30-67)45-89/h1-40H.

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

5-[9-[2-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyanophenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile has a molecular weight of 1245.34 g/mol, XLogP of 18.25, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9-[2-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyanophenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 155003315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).