9-[4-[3,5-bis(4-carbazol-9-yl-2-methylphenyl)phenyl]phenyl]carbazole;9-[4-[3,5-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile

C192H129N13 — CID 159773784

IUPAC9-[4-[3,5-bis(4-carbazol-9-yl-2-methylphenyl)phenyl]phenyl]carbazole;9-[4-[3,5-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile
SMILESCc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2C)c1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cc(-c3ccc(-n4c5ccc(C)cc5c5cc(C)ccc54)cc3)cc(-c3ccc(-n4c5ccc(C)cc5c5cc(C)ccc54)cc3)c2)cc1.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(-n4c5ccc(C#N)cc5c5cc(C#N)ccc54)cc3)c2)cc1
InChIInChI=1S/C66H51N3.C64H35N7.C62H43N3/c1-40-7-25-61-55(31-40)56-32-41(2)8-26-62(56)67(61)52-19-13-46(14-20-52)49-37-50(47-15-21-53(22-16-47)68-63-27-9-42(3)33-57(63)58-34-43(4)10-28-64(58)68)39-51(38-49)48-17-23-54(24-18-48)69-65-29-11-44(5)35-59(65)60-36-45(6)12-30-66(60)69;1-67-48-19-29-63-57(36-48)58-37-49(68-2)20-30-64(58)71(63)52-25-17-44(18-26-52)47-34-45(42-13-21-50(22-14-42)69-59-9-5-3-7-53(59)54-8-4-6-10-60(54)69)33-46(35-47)43-15-23-51(24-16-43)70-61-27-11-40(38-65)31-55(61)56-32-41(39-66)12-28-62(56)70;1-40-35-47(64-59-23-11-5-17-53(59)54-18-6-12-24-60(54)64)31-33-49(40)44-37-43(42-27-29-46(30-28-42)63-57-21-9-3-15-51(57)52-16-4-10-22-58(52)63)38-45(39-44)50-34-32-48(36-41(50)2)65-61-25-13-7-19-55(61)56-20-8-14-26-62(56)65/h7-39H,1-6H3;3-37H;3-39H,1-2H3
InChIKeyNGLQWAVTIIERSY-UHFFFAOYSA-N
MW2618.23 g/mol
LogP51.25
Rot. Bonds18

About 9-[4-[3,5-bis(4-carbazol-9-yl-2-methylphenyl)phenyl]phenyl]carbazole;9-[4-[3,5-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile

9-[4-[3,5-bis(4-carbazol-9-yl-2-methylphenyl)phenyl]phenyl]carbazole;9-[4-[3,5-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile (PubChem CID 159773784) has the molecular formula C192H129N13 and a molecular weight of 2618.23 g/mol. Its IUPAC name is 9-[4-[3,5-bis(4-carbazol-9-yl-2-methylphenyl)phenyl]phenyl]carbazole;9-[4-[3,5-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[4-[3,5-bis(4-carbazol-9-yl-2-methylphenyl)phenyl]phenyl]carbazole;9-[4-[3,5-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile
PubChem CID159773784
Molecular FormulaC192H129N13
Molecular Weight2618.23 g/mol
Exact Mass2616.05
IUPAC Name9-[4-[3,5-bis(4-carbazol-9-yl-2-methylphenyl)phenyl]phenyl]carbazole;9-[4-[3,5-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile
SMILESCc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2C)c1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cc(-c3ccc(-n4c5ccc(C)cc5c5cc(C)ccc54)cc3)cc(-c3ccc(-n4c5ccc(C)cc5c5cc(C)ccc54)cc3)c2)cc1.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(-n4c5ccc(C#N)cc5c5cc(C#N)ccc54)cc3)c2)cc1
InChIInChI=1S/C66H51N3.C64H35N7.C62H43N3/c1-40-7-25-61-55(31-40)56-32-41(2)8-26-62(56)67(61)52-19-13-46(14-20-52)49-37-50(47-15-21-53(22-16-47)68-63-27-9-42(3)33-57(63)58-34-43(4)10-28-64(58)68)39-51(38-49)48-17-23-54(24-18-48)69-65-29-11-44(5)35-59(65)60-36-45(6)12-30-66(60)69;1-67-48-19-29-63-57(36-48)58-37-49(68-2)20-30-64(58)71(63)52-25-17-44(18-26-52)47-34-45(42-13-21-50(22-14-42)69-59-9-5-3-7-53(59)54-8-4-6-10-60(54)69)33-46(35-47)43-15-23-51(24-16-43)70-61-27-11-40(38-65)31-55(61)56-32-41(39-66)12-28-62(56)70;1-40-35-47(64-59-23-11-5-17-53(59)54-18-6-12-24-60(54)64)31-33-49(40)44-37-43(42-27-29-46(30-28-42)63-57-21-9-3-15-51(57)52-16-4-10-22-58(52)63)38-45(39-44)50-34-32-48(36-41(50)2)65-61-25-13-7-19-55(61)56-20-8-14-26-62(56)65/h7-39H,1-6H3;3-37H;3-39H,1-2H3
InChIKeyNGLQWAVTIIERSY-UHFFFAOYSA-N
XLogP51.25
TPSA100.67 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002618.23
LogP ≤ 551.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 9-[4-[3,5-bis(4-carbazol-9-yl-2-methylphenyl)phenyl]phenyl]carbazole;9-[4-[3,5-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-isocyano-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazole-3-carbonitrile
CID 123627774
9-[4-[3-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 155603738
3,5-bis[4-(3-carbazol-9-ylcarbazol-9-yl)-2-methylphenyl]benzonitrile
CID 130353563
9-[4-[4-(3-dibenzofuran-4-yl-6-isocyanocarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]carbazole-3-carbonitrile
CID 140850505
9-[9-[3-(4-isocyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 140760238
9-[3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140775511
3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,4-dimethylphenyl)phenyl]benzonitrile
CID 158410931
9-[3-[2-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 157137099
9-[4-[4-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]phenyl]-8-isocyanocarbazole-3-carbonitrile
CID 155604099
4-[4-[5-isocyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile
CID 161094187
9-[3-[3-(2-isocyano-11-phenylindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140823063
3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2-isocyano-4-methylphenyl)phenyl]benzonitrile
CID 157073153

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3,5-bis(4-carbazol-9-yl-2-methylphenyl)phenyl]phenyl]carbazole;9-[4-[3,5-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[4-[3,5-bis(4-carbazol-9-yl-2-methylphenyl)phenyl]phenyl]carbazole;9-[4-[3,5-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile (CID 159773784) is 9-[4-[3,5-bis(4-carbazol-9-yl-2-methylphenyl)phenyl]phenyl]carbazole;9-[4-[3,5-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[4-[3,5-bis(4-carbazol-9-yl-2-methylphenyl)phenyl]phenyl]carbazole;9-[4-[3,5-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[4-[3,5-bis(4-carbazol-9-yl-2-methylphenyl)phenyl]phenyl]carbazole;9-[4-[3,5-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile is Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2C)c1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cc(-c3ccc(-n4c5ccc(C)cc5c5cc(C)ccc54)cc3)cc(-c3ccc(-n4c5ccc(C)cc5c5cc(C)ccc54)cc3)c2)cc1.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(-n4c5ccc(C#N)cc5c5cc(C#N)ccc54)cc3)c2)cc1.
What is the InChIKey of 9-[4-[3,5-bis(4-carbazol-9-yl-2-methylphenyl)phenyl]phenyl]carbazole;9-[4-[3,5-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile?
The InChIKey is NGLQWAVTIIERSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H51N3.C64H35N7.C62H43N3/c1-40-7-25-61-55(31-40)56-32-41(2)8-26-62(56)67(61)52-19-13-46(14-20-52)49-37-50(47-15-21-53(22-16-47)68-63-27-9-42(3)33-57(63)58-34-43(4)10-28-64(58)68)39-51(38-49)48-17-23-54(24-18-48)69-65-29-11-44(5)35-59(65)60-36-45(6)12-30-66(60)69;1-67-48-19-29-63-57(36-48)58-37-49(68-2)20-30-64(58)71(63)52-25-17-44(18-26-52)47-34-45(42-13-21-50(22-14-42)69-59-9-5-3-7-53(59)54-8-4-6-10-60(54)69)33-46(35-47)43-15-23-51(24-16-43)70-61-27-11-40(38-65)31-55(61)56-32-41(39-66)12-28-62(56)70;1-40-35-47(64-59-23-11-5-17-53(59)54-18-6-12-24-60(54)64)31-33-49(40)44-37-43(42-27-29-46(30-28-42)63-57-21-9-3-15-51(57)52-16-4-10-22-58(52)63)38-45(39-44)50-34-32-48(36-41(50)2)65-61-25-13-7-19-55(61)56-20-8-14-26-62(56)65/h7-39H,1-6H3;3-37H;3-39H,1-2H3.
What are the key properties of 9-[4-[3,5-bis(4-carbazol-9-yl-2-methylphenyl)phenyl]phenyl]carbazole;9-[4-[3,5-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile?
9-[4-[3,5-bis(4-carbazol-9-yl-2-methylphenyl)phenyl]phenyl]carbazole;9-[4-[3,5-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile has a molecular weight of 2618.23 g/mol, XLogP of 51.25, 18 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3,5-bis(4-carbazol-9-yl-2-methylphenyl)phenyl]phenyl]carbazole;9-[4-[3,5-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 159773784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).