4-[9-[4-cyano-2-[2-[3-(2-cyano-4,6-diisocyanophenyl)-6-(2,4-dicyano-6-isocyanophenyl)carbazol-9-yl]-3-methylphenyl]phenyl]-6-(2-cyano-4,6-diisocyanophenyl)carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile

C74H29N15 — CID 159917890

About 4-[9-[4-cyano-2-[2-[3-(2-cyano-4,6-diisocyanophenyl)-6-(2,4-dicyano-6-isocyanophenyl)carbazol-9-yl]-3-methylphenyl]phenyl]-6-(2-cyano-4,6-diisocyanophenyl)carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile

4-[9-[4-cyano-2-[2-[3-(2-cyano-4,6-diisocyanophenyl)-6-(2,4-dicyano-6-isocyanophenyl)carbazol-9-yl]-3-methylphenyl]phenyl]-6-(2-cyano-4,6-diisocyanophenyl)carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile (PubChem CID 159917890) has the molecular formula C74H29N15 and a molecular weight of 1128.15 g/mol. Its IUPAC name is 4-[9-[4-cyano-2-[2-[3-(2-cyano-4,6-diisocyanophenyl)-6-(2,4-dicyano-6-isocyanophenyl)carbazol-9-yl]-3-methylphenyl]phenyl]-6-(2-cyano-4,6-diisocyanophenyl)carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 4-[9-[4-cyano-2-[2-[3-(2-cyano-4,6-diisocyanophenyl)-6-(2,4-dicyano-6-isocyanophenyl)carbazol-9-yl]-3-methylphenyl]phenyl]-6-(2-cyano-4,6-diisocyanophenyl)carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile
• PubChem CID: 159917890
• Molecular Formula: C74H29N15
• Molecular Weight: 1128.15 g/mol
• Exact Mass: 1127.27
• IUPAC Name: 4-[9-[4-cyano-2-[2-[3-(2-cyano-4,6-diisocyanophenyl)-6-(2,4-dicyano-6-isocyanophenyl)carbazol-9-yl]-3-methylphenyl]phenyl]-6-(2-cyano-4,6-diisocyanophenyl)carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile
• SMILES: [C-]#[N+]c1cc(C#N)c(-c2ccc3c(c2)c2cc(-c4c(C#N)cc(C#N)cc4[N+]#[C-])ccc2n3-c2ccc(C#N)cc2-c2cccc(C)c2-n2c3ccc(-c4c(C#N)cc(C#N)cc4[N+]#[C-])cc3c3cc(-c4c(C#N)cc([N+]#[C-])cc4[N+]#[C-])ccc32)c([N+]#[C-])c1
• InChI: InChI=1S/C74H29N15/c1-41-9-8-10-55(74(41)89-68-19-14-46(71-50(38-79)22-44(36-77)25-62(71)85-5)30-59(68)60-31-48(15-20-69(60)89)73-52(40-81)27-54(83-3)33-64(73)87-7)56-23-42(34-75)11-16-65(56)88-66-17-12-45(70-49(37-78)21-43(35-76)24-61(70)84-4)28-57(66)58-29-47(13-18-67(58)88)72-51(39-80)26-53(82-2)32-63(72)86-6/h8-33H,1H3
• InChIKey: DKUZMGQWUGCEQW-UHFFFAOYSA-N
• XLogP: 18.93
• TPSA: 202.55 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1128.15
LogP ≤ 5	18.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[9-[4-cyano-2-[2-[3-(2-cyano-4,6-diisocyanophenyl)-6-(2,4-dicyano-6-isocyanophenyl)carbazol-9-yl]-3-methylphenyl]phenyl]-6-(2-cyano-4,6-diisocyanophenyl)carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile?

The IUPAC name of 4-[9-[4-cyano-2-[2-[3-(2-cyano-4,6-diisocyanophenyl)-6-(2,4-dicyano-6-isocyanophenyl)carbazol-9-yl]-3-methylphenyl]phenyl]-6-(2-cyano-4,6-diisocyanophenyl)carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile (CID 159917890) is 4-[9-[4-cyano-2-[2-[3-(2-cyano-4,6-diisocyanophenyl)-6-(2,4-dicyano-6-isocyanophenyl)carbazol-9-yl]-3-methylphenyl]phenyl]-6-(2-cyano-4,6-diisocyanophenyl)carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile.

What is the SMILES notation for 4-[9-[4-cyano-2-[2-[3-(2-cyano-4,6-diisocyanophenyl)-6-(2,4-dicyano-6-isocyanophenyl)carbazol-9-yl]-3-methylphenyl]phenyl]-6-(2-cyano-4,6-diisocyanophenyl)carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile?

The canonical SMILES for 4-[9-[4-cyano-2-[2-[3-(2-cyano-4,6-diisocyanophenyl)-6-(2,4-dicyano-6-isocyanophenyl)carbazol-9-yl]-3-methylphenyl]phenyl]-6-(2-cyano-4,6-diisocyanophenyl)carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile is [C-]#[N+]c1cc(C#N)c(-c2ccc3c(c2)c2cc(-c4c(C#N)cc(C#N)cc4[N+]#[C-])ccc2n3-c2ccc(C#N)cc2-c2cccc(C)c2-n2c3ccc(-c4c(C#N)cc(C#N)cc4[N+]#[C-])cc3c3cc(-c4c(C#N)cc([N+]#[C-])cc4[N+]#[C-])ccc32)c([N+]#[C-])c1.

What is the InChIKey of 4-[9-[4-cyano-2-[2-[3-(2-cyano-4,6-diisocyanophenyl)-6-(2,4-dicyano-6-isocyanophenyl)carbazol-9-yl]-3-methylphenyl]phenyl]-6-(2-cyano-4,6-diisocyanophenyl)carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile?

The InChIKey is DKUZMGQWUGCEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H29N15/c1-41-9-8-10-55(74(41)89-68-19-14-46(71-50(38-79)22-44(36-77)25-62(71)85-5)30-59(68)60-31-48(15-20-69(60)89)73-52(40-81)27-54(83-3)33-64(73)87-7)56-23-42(34-75)11-16-65(56)88-66-17-12-45(70-49(37-78)21-43(35-76)24-61(70)84-4)28-57(66)58-29-47(13-18-67(58)88)72-51(39-80)26-53(82-2)32-63(72)86-6/h8-33H,1H3.

What are the key properties of 4-[9-[4-cyano-2-[2-[3-(2-cyano-4,6-diisocyanophenyl)-6-(2,4-dicyano-6-isocyanophenyl)carbazol-9-yl]-3-methylphenyl]phenyl]-6-(2-cyano-4,6-diisocyanophenyl)carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile?

4-[9-[4-cyano-2-[2-[3-(2-cyano-4,6-diisocyanophenyl)-6-(2,4-dicyano-6-isocyanophenyl)carbazol-9-yl]-3-methylphenyl]phenyl]-6-(2-cyano-4,6-diisocyanophenyl)carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile has a molecular weight of 1128.15 g/mol, XLogP of 18.93, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-[4-cyano-2-[2-[3-(2-cyano-4,6-diisocyanophenyl)-6-(2,4-dicyano-6-isocyanophenyl)carbazol-9-yl]-3-methylphenyl]phenyl]-6-(2-cyano-4,6-diisocyanophenyl)carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile is sourced from PubChem (CID 159917890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).