2-(3-carbazol-9-ylcarbazol-9-yl)-4-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-(2-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole

C200H116N20 — CID 159299446

IUPAC2-(3-carbazol-9-ylcarbazol-9-yl)-4-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-(2-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(C#N)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc(C#N)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2[N+]#[C-])c1.[C-]#[N+]c1ccc2c3ccccc3n(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)c3C#N)c2c1
InChIInChI=1S/4C50H29N5/c1-51-33-25-27-47-41(30-33)39-17-5-9-22-45(39)53(47)34-14-11-13-32(29-34)36-19-12-24-49(50(36)52-2)55-46-23-10-6-18-40(46)42-31-35(26-28-48(42)55)54-43-20-7-3-15-37(43)38-16-4-8-21-44(38)54;1-52-33-24-26-41-39-16-4-9-22-47(39)55(50(41)29-33)48-23-11-18-36(43(48)31-51)32-12-10-13-34(28-32)53-46-21-8-5-17-40(46)42-30-35(25-27-49(42)53)54-44-19-6-2-14-37(44)38-15-3-7-20-45(38)54;1-52-35-21-23-49-43(29-35)41-15-4-8-19-47(41)53(49)36-12-10-11-33(27-36)34-25-32(31-51)26-38(28-34)55-48-20-9-5-16-42(48)44-30-37(22-24-50(44)55)54-45-17-6-2-13-39(45)40-14-3-7-18-46(40)54;1-52-35-23-25-48-42(29-35)40-15-4-8-19-46(40)53(48)36-12-10-11-32(27-36)33-21-22-34(31-51)50(28-33)55-47-20-9-5-16-41(47)43-30-37(24-26-49(43)55)54-44-17-6-2-13-38(44)39-14-3-7-18-45(39)54/h3-31H;3*2-30H
InChIKeyLBDJJQIYMCNCBD-UHFFFAOYSA-N
MW2799.27 g/mol
LogP52.95
Rot. Bonds16

About 2-(3-carbazol-9-ylcarbazol-9-yl)-4-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-(2-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole

2-(3-carbazol-9-ylcarbazol-9-yl)-4-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-(2-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole (PubChem CID 159299446) has the molecular formula C200H116N20 and a molecular weight of 2799.27 g/mol. Its IUPAC name is 2-(3-carbazol-9-ylcarbazol-9-yl)-4-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-(2-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name2-(3-carbazol-9-ylcarbazol-9-yl)-4-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-(2-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
PubChem CID159299446
Molecular FormulaC200H116N20
Molecular Weight2799.27 g/mol
Exact Mass2796.97
IUPAC Name2-(3-carbazol-9-ylcarbazol-9-yl)-4-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-(2-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(C#N)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc(C#N)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2[N+]#[C-])c1.[C-]#[N+]c1ccc2c3ccccc3n(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)c3C#N)c2c1
InChIInChI=1S/4C50H29N5/c1-51-33-25-27-47-41(30-33)39-17-5-9-22-45(39)53(47)34-14-11-13-32(29-34)36-19-12-24-49(50(36)52-2)55-46-23-10-6-18-40(46)42-31-35(26-28-48(42)55)54-43-20-7-3-15-37(43)38-16-4-8-21-44(38)54;1-52-33-24-26-41-39-16-4-9-22-47(39)55(50(41)29-33)48-23-11-18-36(43(48)31-51)32-12-10-13-34(28-32)53-46-21-8-5-17-40(46)42-30-35(25-27-49(42)53)54-44-19-6-2-14-37(44)38-15-3-7-20-45(38)54;1-52-35-21-23-49-43(29-35)41-15-4-8-19-47(41)53(49)36-12-10-11-33(27-36)34-25-32(31-51)26-38(28-34)55-48-20-9-5-16-42(48)44-30-37(22-24-50(44)55)54-45-17-6-2-13-39(45)40-14-3-7-18-46(40)54;1-52-35-23-25-48-42(29-35)40-15-4-8-19-46(40)53(48)36-12-10-11-32(27-36)33-21-22-34(31-51)50(28-33)55-47-20-9-5-16-41(47)43-30-37(24-26-49(43)55)54-44-17-6-2-13-38(44)39-14-3-7-18-45(39)54/h3-31H;3*2-30H
InChIKeyLBDJJQIYMCNCBD-UHFFFAOYSA-N
XLogP52.95
TPSA152.33 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002799.27
LogP ≤ 552.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-(3-carbazol-9-ylcarbazol-9-yl)-4-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-(2-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole with MolForge

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Related Compounds

3-carbazol-9-yl-5-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylphenyl)-5-(3-isocyanocarbazol-9-yl)benzonitrile
CID 158377792
3-(3-carbazol-9-ylphenyl)-5-(3-isocyanocarbazol-9-yl)benzonitrile
CID 140852986
3-carbazol-9-yl-5-[4-[2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile
CID 155604698
2-(3-carbazol-9-yl-5-cyanophenyl)-5-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 155604960
3-(2-carbazol-9-ylcarbazol-9-yl)-5-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(2-carbazol-9-yl-6-isocyanocarbazol-9-yl)-5-(3-carbazol-9-yl-5-isocyanophenyl)benzonitrile;9-[9-[3-(3-carbazol-9-yl-5-isocyanophenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile;9-[9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile
CID 159502999
3-carbazol-9-yl-5-[3-carbazol-9-yl-5-(3-cyanophenyl)phenyl]benzonitrile;2-[3-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)phenyl]benzonitrile;2-carbazol-9-yl-4-(3-carbazol-9-yl-5-phenylphenyl)benzonitrile;2-carbazol-9-yl-6-(3-carbazol-9-yl-5-phenylphenyl)benzonitrile
CID 164973443
3-carbazol-9-yl-5-[3-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]benzonitrile
CID 155603562
3-[3-[2-[3-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]phenyl]benzonitrile
CID 140760373
3-carbazol-9-yl-9-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 162702859
9-[3-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-2-carbonitrile;9-[3-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile;9-[3-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile;3-(3-carbazol-9-ylphenyl)-5-[2-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylphenyl)-5-[2-(2-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylphenyl)-5-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 159514053
4-[2-(2-carbazol-9-ylphenyl)-6-isocyanocarbazol-9-yl]benzonitrile
CID 140760365
2-(3-carbazol-9-yl-5-cyanophenyl)-4-(3,6-diisocyanocarbazol-9-yl)-6-phenylbenzonitrile
CID 140822606

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbazol-9-ylcarbazol-9-yl)-4-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-(2-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole?
The IUPAC name of 2-(3-carbazol-9-ylcarbazol-9-yl)-4-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-(2-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole (CID 159299446) is 2-(3-carbazol-9-ylcarbazol-9-yl)-4-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-(2-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 2-(3-carbazol-9-ylcarbazol-9-yl)-4-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-(2-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 2-(3-carbazol-9-ylcarbazol-9-yl)-4-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-(2-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole is [C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(C#N)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc(C#N)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2[N+]#[C-])c1.[C-]#[N+]c1ccc2c3ccccc3n(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)c3C#N)c2c1.
What is the InChIKey of 2-(3-carbazol-9-ylcarbazol-9-yl)-4-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-(2-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole?
The InChIKey is LBDJJQIYMCNCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C50H29N5/c1-51-33-25-27-47-41(30-33)39-17-5-9-22-45(39)53(47)34-14-11-13-32(29-34)36-19-12-24-49(50(36)52-2)55-46-23-10-6-18-40(46)42-31-35(26-28-48(42)55)54-43-20-7-3-15-37(43)38-16-4-8-21-44(38)54;1-52-33-24-26-41-39-16-4-9-22-47(39)55(50(41)29-33)48-23-11-18-36(43(48)31-51)32-12-10-13-34(28-32)53-46-21-8-5-17-40(46)42-30-35(25-27-49(42)53)54-44-19-6-2-14-37(44)38-15-3-7-20-45(38)54;1-52-35-21-23-49-43(29-35)41-15-4-8-19-47(41)53(49)36-12-10-11-33(27-36)34-25-32(31-51)26-38(28-34)55-48-20-9-5-16-42(48)44-30-37(22-24-50(44)55)54-45-17-6-2-13-39(45)40-14-3-7-18-46(40)54;1-52-35-23-25-48-42(29-35)40-15-4-8-19-46(40)53(48)36-12-10-11-32(27-36)33-21-22-34(31-51)50(28-33)55-47-20-9-5-16-41(47)43-30-37(24-26-49(43)55)54-44-17-6-2-13-38(44)39-14-3-7-18-45(39)54/h3-31H;3*2-30H.
What are the key properties of 2-(3-carbazol-9-ylcarbazol-9-yl)-4-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-(2-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole?
2-(3-carbazol-9-ylcarbazol-9-yl)-4-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-(2-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole has a molecular weight of 2799.27 g/mol, XLogP of 52.95, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbazol-9-ylcarbazol-9-yl)-4-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-(2-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 159299446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).