4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[6-(4-cyano-2-isocyanophenyl)-9-[2-[2-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile

C211H114F3N25 — CID 159985505

About 4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[6-(4-cyano-2-isocyanophenyl)-9-[2-[2-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile

4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[6-(4-cyano-2-isocyanophenyl)-9-[2-[2-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile (PubChem CID 159985505) has the molecular formula C211H114F3N25 and a molecular weight of 3056.40 g/mol. Its IUPAC name is 4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[6-(4-cyano-2-isocyanophenyl)-9-[2-[2-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[6-(4-cyano-2-isocyanophenyl)-9-[2-[2-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
• PubChem CID: 159985505
• Molecular Formula: C211H114F3N25
• Molecular Weight: 3056.40 g/mol
• Exact Mass: 3053.96
• IUPAC Name: 4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[6-(4-cyano-2-isocyanophenyl)-9-[2-[2-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
• SMILES: [C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4)ccc2n3-c2ccc(-c3c(C)cccc3C)cc2-c2cc([N+]#[C-])ccc2-n2c3ccc(-c4ccc(C#N)cc4)cc3c3cc(-c4ccc(C#N)cc4)ccc32)cc1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4[N+]#[C-])ccc2n3-c2ccc(-c3c(C)cccc3C)cc2-c2cc([N+]#[C-])ccc2-n2c3ccc(-c4ccc(C#N)cc4C#N)cc3c3cc(-c4ccc(C#N)cc4[N+]#[C-])ccc32)c(C#N)c1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3c(C)cccc3C(F)(F)F)cc2-c2cc([N+]#[C-])ccc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4[N+]#[C-])ccc32)c(C#N)c1
• InChI: InChI=1S/C77H39N11.C73H43N7.C61H32F3N7/c1-45-9-8-10-46(2)77(45)53-17-29-75(87-71-26-14-50(60-23-18-56(82-3)33-55(60)44-81)35-64(71)66-37-52(16-28-73(66)87)62-24-19-58(84-5)40-70(62)86-7)67(38-53)68-39-57(83-4)20-30-76(68)88-72-25-13-49(59-21-11-47(41-78)31-54(59)43-80)34-63(72)65-36-51(15-27-74(65)88)61-22-12-48(42-79)32-69(61)85-6;1-45-7-6-8-46(2)73(45)57-25-35-71(79-67-33-23-55(51-17-26-58(76-3)27-18-51)39-63(67)64-40-56(24-34-68(64)79)52-19-28-59(77-4)29-20-52)65(41-57)66-42-60(78-5)30-36-72(66)80-69-31-21-53(49-13-9-47(43-74)10-14-49)37-61(69)62-38-54(22-32-70(62)80)50-15-11-48(44-75)12-16-50;1-36-10-9-13-52(61(62,63)64)60(36)40-19-26-58(70-54-14-7-5-11-46(54)48-30-38(17-24-56(48)70)44-23-20-42(67-2)29-41(44)35-66)50(32-40)51-33-43(68-3)21-27-59(51)71-55-15-8-6-12-47(55)49-31-39(18-25-57(49)71)45-22-16-37(34-65)28-53(45)69-4/h8-40H,1-2H3;6-42H,1-2H3;5-33H,1H3
• InChIKey: OGGZBZSMOMFPQC-UHFFFAOYSA-N
• XLogP: 57.91
• TPSA: 267.86 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 22
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3056.40
LogP ≤ 5	57.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[6-(4-cyano-2-isocyanophenyl)-9-[2-[2-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?

The IUPAC name of 4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[6-(4-cyano-2-isocyanophenyl)-9-[2-[2-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile (CID 159985505) is 4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[6-(4-cyano-2-isocyanophenyl)-9-[2-[2-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile.

What is the SMILES notation for 4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[6-(4-cyano-2-isocyanophenyl)-9-[2-[2-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?

The canonical SMILES for 4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[6-(4-cyano-2-isocyanophenyl)-9-[2-[2-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile is [C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4)ccc2n3-c2ccc(-c3c(C)cccc3C)cc2-c2cc([N+]#[C-])ccc2-n2c3ccc(-c4ccc(C#N)cc4)cc3c3cc(-c4ccc(C#N)cc4)ccc32)cc1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4[N+]#[C-])ccc2n3-c2ccc(-c3c(C)cccc3C)cc2-c2cc([N+]#[C-])ccc2-n2c3ccc(-c4ccc(C#N)cc4C#N)cc3c3cc(-c4ccc(C#N)cc4[N+]#[C-])ccc32)c(C#N)c1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3c(C)cccc3C(F)(F)F)cc2-c2cc([N+]#[C-])ccc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4[N+]#[C-])ccc32)c(C#N)c1.

What is the InChIKey of 4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[6-(4-cyano-2-isocyanophenyl)-9-[2-[2-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?

The InChIKey is OGGZBZSMOMFPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H39N11.C73H43N7.C61H32F3N7/c1-45-9-8-10-46(2)77(45)53-17-29-75(87-71-26-14-50(60-23-18-56(82-3)33-55(60)44-81)35-64(71)66-37-52(16-28-73(66)87)62-24-19-58(84-5)40-70(62)86-7)67(38-53)68-39-57(83-4)20-30-76(68)88-72-25-13-49(59-21-11-47(41-78)31-54(59)43-80)34-63(72)65-36-51(15-27-74(65)88)61-22-12-48(42-79)32-69(61)85-6;1-45-7-6-8-46(2)73(45)57-25-35-71(79-67-33-23-55(51-17-26-58(76-3)27-18-51)39-63(67)64-40-56(24-34-68(64)79)52-19-28-59(77-4)29-20-52)65(41-57)66-42-60(78-5)30-36-72(66)80-69-31-21-53(49-13-9-47(43-74)10-14-49)37-61(69)62-38-54(22-32-70(62)80)50-15-11-48(44-75)12-16-50;1-36-10-9-13-52(61(62,63)64)60(36)40-19-26-58(70-54-14-7-5-11-46(54)48-30-38(17-24-56(48)70)44-23-20-42(67-2)29-41(44)35-66)50(32-40)51-33-43(68-3)21-27-59(51)71-55-15-8-6-12-47(55)49-31-39(18-25-57(49)71)45-22-16-37(34-65)28-53(45)69-4/h8-40H,1-2H3;6-42H,1-2H3;5-33H,1H3.

What are the key properties of 4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[6-(4-cyano-2-isocyanophenyl)-9-[2-[2-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?

4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[6-(4-cyano-2-isocyanophenyl)-9-[2-[2-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile has a molecular weight of 3056.40 g/mol, XLogP of 57.91, 22 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[6-(4-cyano-2-isocyanophenyl)-9-[2-[2-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 159985505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).