2,6-bis(benzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;2,6-bis(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;4,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzene-1,2-dicarbonitrile;3-isocyano-2,6-bis[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile

C220H128N20 — CID 158560069

IUPAC2,6-bis(benzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;2,6-bis(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;4,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzene-1,2-dicarbonitrile;3-isocyano-2,6-bis[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3c4ccccc4ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3c4ccccc4ccc32)cc1C#N.[C-]#[N+]c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4ccccc4ccc32)c(C#N)c1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2c3ccccc3ccc21.[C-]#[N+]c1ccc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4ccccc4ccc32)c(C#N)c1-n1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2c3ccccc3ccc21.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4ccccc4ccc32)c(C#N)c1-n1c2ccccc2c2c3ccccc3ccc21
InChIInChI=1S/C64H36N6.C64H40N6.C52H30N4.C40H22N4/c1-66-52-30-35-59(69-57-33-28-41(36-49(57)62-43-16-4-2-14-39(43)26-31-60(62)69)67-53-22-10-6-18-45(53)46-19-7-11-23-54(46)67)51(38-65)64(52)70-58-34-29-42(37-50(58)63-44-17-5-3-15-40(44)27-32-61(63)70)68-55-24-12-8-20-47(55)48-21-9-13-25-56(48)68;1-66-56-34-39-59(69-57-37-32-49(67(45-20-6-2-7-21-45)46-22-8-3-9-23-46)40-53(57)62-51-28-16-14-18-43(51)30-35-60(62)69)55(42-65)64(56)70-58-38-33-50(68(47-24-10-4-11-25-47)48-26-12-5-13-27-48)41-54(58)63-52-29-17-15-19-44(52)31-36-61(63)70;53-31-39-29-49(55-45-23-21-37(33-11-3-1-4-12-33)27-43(45)51-41-17-9-7-15-35(41)19-25-47(51)55)50(30-40(39)32-54)56-46-24-22-38(34-13-5-2-6-14-34)28-44(46)52-42-18-10-8-16-36(42)20-26-48(52)56;1-42-32-20-23-35(43-33-16-8-6-14-29(33)38-27-12-4-2-10-25(27)18-21-36(38)43)31(24-41)40(32)44-34-17-9-7-15-30(34)39-28-13-5-3-11-26(28)19-22-37(39)44/h2-37H;2-41H;1-30H;2-23H
InChIKeyHQTQYTFWSVPHDQ-UHFFFAOYSA-N
MW3051.58 g/mol
LogP58.23
Rot. Bonds18

About 2,6-bis(benzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;2,6-bis(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;4,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzene-1,2-dicarbonitrile;3-isocyano-2,6-bis[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile

2,6-bis(benzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;2,6-bis(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;4,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzene-1,2-dicarbonitrile;3-isocyano-2,6-bis[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile (PubChem CID 158560069) has the molecular formula C220H128N20 and a molecular weight of 3051.58 g/mol. Its IUPAC name is 2,6-bis(benzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;2,6-bis(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;4,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzene-1,2-dicarbonitrile;3-isocyano-2,6-bis[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile.

Molecular Properties

Compound Name2,6-bis(benzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;2,6-bis(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;4,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzene-1,2-dicarbonitrile;3-isocyano-2,6-bis[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
PubChem CID158560069
Molecular FormulaC220H128N20
Molecular Weight3051.58 g/mol
Exact Mass3049.06
IUPAC Name2,6-bis(benzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;2,6-bis(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;4,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzene-1,2-dicarbonitrile;3-isocyano-2,6-bis[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3c4ccccc4ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3c4ccccc4ccc32)cc1C#N.[C-]#[N+]c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4ccccc4ccc32)c(C#N)c1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2c3ccccc3ccc21.[C-]#[N+]c1ccc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4ccccc4ccc32)c(C#N)c1-n1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2c3ccccc3ccc21.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4ccccc4ccc32)c(C#N)c1-n1c2ccccc2c2c3ccccc3ccc21
InChIInChI=1S/C64H36N6.C64H40N6.C52H30N4.C40H22N4/c1-66-52-30-35-59(69-57-33-28-41(36-49(57)62-43-16-4-2-14-39(43)26-31-60(62)69)67-53-22-10-6-18-45(53)46-19-7-11-23-54(46)67)51(38-65)64(52)70-58-34-29-42(37-50(58)63-44-17-5-3-15-40(44)27-32-61(63)70)68-55-24-12-8-20-47(55)48-21-9-13-25-56(48)68;1-66-56-34-39-59(69-57-37-32-49(67(45-20-6-2-7-21-45)46-22-8-3-9-23-46)40-53(57)62-51-28-16-14-18-43(51)30-35-60(62)69)55(42-65)64(56)70-58-38-33-50(68(47-24-10-4-11-25-47)48-26-12-5-13-27-48)41-54(58)63-52-29-17-15-19-44(52)31-36-61(63)70;53-31-39-29-49(55-45-23-21-37(33-11-3-1-4-12-33)27-43(45)51-41-17-9-7-15-35(41)19-25-47(51)55)50(30-40(39)32-54)56-46-24-22-38(34-13-5-2-6-14-34)28-44(46)52-42-18-10-8-16-36(42)20-26-48(52)56;1-42-32-20-23-35(43-33-16-8-6-14-29(33)38-27-12-4-2-10-25(27)18-21-36(38)43)31(24-41)40(32)44-34-17-9-7-15-30(34)39-28-13-5-3-11-26(28)19-22-37(39)44/h2-37H;2-41H;1-30H;2-23H
InChIKeyHQTQYTFWSVPHDQ-UHFFFAOYSA-N
XLogP58.23
TPSA187.81 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003051.58
LogP ≤ 558.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2,6-bis(benzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;2,6-bis(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;4,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzene-1,2-dicarbonitrile;3-isocyano-2,6-bis[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile with MolForge

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Related Compounds

5-carbazol-9-yl-4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
CID 153462687
4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 153462523
5-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
CID 153462451
5-benzo[c]carbazol-7-yl-4-isocyano-2-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]benzonitrile
CID 153462349
5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-(3,6-diphenylcarbazol-9-yl)benzene-1,2-dicarbonitrile
CID 121324579
2,5-bis(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile;4-isocyano-2,5-bis[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzonitrile
CID 158176115
5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-6-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-3-isocyano-5-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
CID 161256880
2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 121328730
5-isocyano-2,4-bis(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
CID 153462263
5-(21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-21-yl)-4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile;5-benzo[c]carbazol-7-yl-2-(10-dibenzothiophen-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[10-(9-phenylcarbazol-2-yl)benzo[c]carbazol-7-yl]benzonitrile
CID 159669911
4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 121307484
4-benzo[c]carbazol-7-yl-5-isocyano-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile
CID 153462299

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(benzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;2,6-bis(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;4,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzene-1,2-dicarbonitrile;3-isocyano-2,6-bis[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile?
The IUPAC name of 2,6-bis(benzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;2,6-bis(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;4,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzene-1,2-dicarbonitrile;3-isocyano-2,6-bis[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile (CID 158560069) is 2,6-bis(benzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;2,6-bis(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;4,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzene-1,2-dicarbonitrile;3-isocyano-2,6-bis[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile.
What is the SMILES notation for 2,6-bis(benzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;2,6-bis(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;4,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzene-1,2-dicarbonitrile;3-isocyano-2,6-bis[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile?
The canonical SMILES for 2,6-bis(benzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;2,6-bis(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;4,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzene-1,2-dicarbonitrile;3-isocyano-2,6-bis[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile is N#Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3c4ccccc4ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3c4ccccc4ccc32)cc1C#N.[C-]#[N+]c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4ccccc4ccc32)c(C#N)c1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2c3ccccc3ccc21.[C-]#[N+]c1ccc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4ccccc4ccc32)c(C#N)c1-n1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2c3ccccc3ccc21.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4ccccc4ccc32)c(C#N)c1-n1c2ccccc2c2c3ccccc3ccc21.
What is the InChIKey of 2,6-bis(benzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;2,6-bis(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;4,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzene-1,2-dicarbonitrile;3-isocyano-2,6-bis[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile?
The InChIKey is HQTQYTFWSVPHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H36N6.C64H40N6.C52H30N4.C40H22N4/c1-66-52-30-35-59(69-57-33-28-41(36-49(57)62-43-16-4-2-14-39(43)26-31-60(62)69)67-53-22-10-6-18-45(53)46-19-7-11-23-54(46)67)51(38-65)64(52)70-58-34-29-42(37-50(58)63-44-17-5-3-15-40(44)27-32-61(63)70)68-55-24-12-8-20-47(55)48-21-9-13-25-56(48)68;1-66-56-34-39-59(69-57-37-32-49(67(45-20-6-2-7-21-45)46-22-8-3-9-23-46)40-53(57)62-51-28-16-14-18-43(51)30-35-60(62)69)55(42-65)64(56)70-58-38-33-50(68(47-24-10-4-11-25-47)48-26-12-5-13-27-48)41-54(58)63-52-29-17-15-19-44(52)31-36-61(63)70;53-31-39-29-49(55-45-23-21-37(33-11-3-1-4-12-33)27-43(45)51-41-17-9-7-15-35(41)19-25-47(51)55)50(30-40(39)32-54)56-46-24-22-38(34-13-5-2-6-14-34)28-44(46)52-42-18-10-8-16-36(42)20-26-48(52)56;1-42-32-20-23-35(43-33-16-8-6-14-29(33)38-27-12-4-2-10-25(27)18-21-36(38)43)31(24-41)40(32)44-34-17-9-7-15-30(34)39-28-13-5-3-11-26(28)19-22-37(39)44/h2-37H;2-41H;1-30H;2-23H.
What are the key properties of 2,6-bis(benzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;2,6-bis(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;4,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzene-1,2-dicarbonitrile;3-isocyano-2,6-bis[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile?
2,6-bis(benzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;2,6-bis(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;4,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzene-1,2-dicarbonitrile;3-isocyano-2,6-bis[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile has a molecular weight of 3051.58 g/mol, XLogP of 58.23, 18 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(benzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;2,6-bis(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;4,5-bis(10-phenylbenzo[c]carbazol-7-yl)benzene-1,2-dicarbonitrile;3-isocyano-2,6-bis[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile is sourced from PubChem (CID 158560069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).