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

C264H152N24O4 — CID 158176115

IUPAC2,5-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
SMILES[C-]#[N+]c1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4oc5ccccc5c4ccc32)c(C#N)cc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4oc5ccccc5c4ccc32)c(C#N)cc1-n1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2c3oc4ccccc4c3ccc21
InChIInChI=1S/C68H36N6O2.C68H40N6O2.C64H36N6.C64H40N6/c1-70-52-37-61(73-57-30-26-40(71-53-20-8-2-14-42(53)43-15-3-9-21-54(43)71)35-50(57)65-59(73)32-28-48-46-18-6-12-24-63(46)75-67(48)65)39(38-69)34-62(52)74-58-31-27-41(72-55-22-10-4-16-44(55)45-17-5-11-23-56(45)72)36-51(58)66-60(74)33-29-49-47-19-7-13-25-64(47)76-68(49)66;1-70-56-41-61(73-57-34-30-48(71(44-18-6-2-7-19-44)45-20-8-3-9-21-45)39-54(57)65-59(73)36-32-52-50-26-14-16-28-63(50)75-67(52)65)43(42-69)38-62(56)74-58-35-31-49(72(46-22-10-4-11-23-46)47-24-12-5-13-25-47)40-55(58)66-60(74)37-33-53-51-27-15-17-29-64(51)76-68(53)66;1-66-52-37-61(69-57-32-28-42(35-50(57)63-44-16-4-2-14-39(44)26-30-59(63)69)67-53-22-10-6-18-46(53)47-19-7-11-23-54(47)67)41(38-65)34-62(52)70-58-33-29-43(36-51(58)64-45-17-5-3-15-40(45)27-31-60(64)70)68-55-24-12-8-20-48(55)49-21-9-13-25-56(49)68;1-66-56-41-61(69-57-36-32-50(67(46-20-6-2-7-21-46)47-22-8-3-9-23-47)39-54(57)63-52-28-16-14-18-43(52)30-34-59(63)69)45(42-65)38-62(56)70-58-37-33-51(68(48-24-10-4-11-25-48)49-26-12-5-13-27-49)40-55(58)64-53-29-17-15-19-44(53)31-35-60(64)70/h2-37H;2-41H;2-37H;2-41H
InChIKeyFYACAKQXRXESNY-UHFFFAOYSA-N
MW3724.28 g/mol
LogP71.69
Rot. Bonds24

About 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

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 (PubChem CID 158176115) has the molecular formula C264H152N24O4 and a molecular weight of 3724.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,5-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
PubChem CID158176115
Molecular FormulaC264H152N24O4
Molecular Weight3724.28 g/mol
Exact Mass3721.24
IUPAC Name2,5-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
SMILES[C-]#[N+]c1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4oc5ccccc5c4ccc32)c(C#N)cc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4oc5ccccc5c4ccc32)c(C#N)cc1-n1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2c3oc4ccccc4c3ccc21
InChIInChI=1S/C68H36N6O2.C68H40N6O2.C64H36N6.C64H40N6/c1-70-52-37-61(73-57-30-26-40(71-53-20-8-2-14-42(53)43-15-3-9-21-54(43)71)35-50(57)65-59(73)32-28-48-46-18-6-12-24-63(46)75-67(48)65)39(38-69)34-62(52)74-58-31-27-41(72-55-22-10-4-16-44(55)45-17-5-11-23-56(45)72)36-51(58)66-60(74)33-29-49-47-19-7-13-25-64(47)76-68(49)66;1-70-56-41-61(73-57-34-30-48(71(44-18-6-2-7-19-44)45-20-8-3-9-21-45)39-54(57)65-59(73)36-32-52-50-26-14-16-28-63(50)75-67(52)65)43(42-69)38-62(56)74-58-35-31-49(72(46-22-10-4-11-23-46)47-24-12-5-13-25-47)40-55(58)66-60(74)37-33-53-51-27-15-17-29-64(51)76-68(53)66;1-66-52-37-61(69-57-32-28-42(35-50(57)63-44-16-4-2-14-39(44)26-30-59(63)69)67-53-22-10-6-18-46(53)47-19-7-11-23-54(47)67)41(38-65)34-62(52)70-58-33-29-43(36-51(58)64-45-17-5-3-15-40(45)27-31-60(64)70)68-55-24-12-8-20-48(55)49-21-9-13-25-56(49)68;1-66-56-41-61(69-57-36-32-50(67(46-20-6-2-7-21-46)47-22-8-3-9-23-47)39-54(57)63-52-28-16-14-18-43(52)30-34-59(63)69)45(42-65)38-62(56)70-58-37-33-51(68(48-24-10-4-11-25-48)49-26-12-5-13-27-49)40-55(58)64-53-29-17-15-19-44(53)31-35-60(64)70/h2-37H;2-41H;2-37H;2-41H
InChIKeyFYACAKQXRXESNY-UHFFFAOYSA-N
XLogP71.69
TPSA237.28 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms292
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003724.28
LogP ≤ 571.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile
CID 153462118
2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile
CID 153462269
2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-carbazol-9-ylcarbazol-9-yl)-4-isocyanobenzonitrile
CID 153462287
5-(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)-2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;5-(9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaen-9-yl)-2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;5-(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)-4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile;5-(9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaen-9-yl)-4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile;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;5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(18-carbazol-9-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzonitrile
CID 159470160
5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile
CID 159853303
5-carbazol-9-yl-4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
CID 153462687
2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 121328699
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
2-(3-carbazol-9-yl-11-phenylindolo[2,3-a]carbazol-12-yl)-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,4-dicarbonitrile
CID 121329266
4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 153462523
4-isocyano-2,5-bis[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzonitrile
CID 153461832
5-isocyano-2-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzonitrile
CID 153462261

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [C-]#[N+]c1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4oc5ccccc5c4ccc32)c(C#N)cc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4oc5ccccc5c4ccc32)c(C#N)cc1-n1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2c3oc4ccccc4c3ccc21.
What is the InChIKey of 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?
The InChIKey is FYACAKQXRXESNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H36N6O2.C68H40N6O2.C64H36N6.C64H40N6/c1-70-52-37-61(73-57-30-26-40(71-53-20-8-2-14-42(53)43-15-3-9-21-54(43)71)35-50(57)65-59(73)32-28-48-46-18-6-12-24-63(46)75-67(48)65)39(38-69)34-62(52)74-58-31-27-41(72-55-22-10-4-16-44(55)45-17-5-11-23-56(45)72)36-51(58)66-60(74)33-29-49-47-19-7-13-25-64(47)76-68(49)66;1-70-56-41-61(73-57-34-30-48(71(44-18-6-2-7-19-44)45-20-8-3-9-21-45)39-54(57)65-59(73)36-32-52-50-26-14-16-28-63(50)75-67(52)65)43(42-69)38-62(56)74-58-35-31-49(72(46-22-10-4-11-23-46)47-24-12-5-13-25-47)40-55(58)66-60(74)37-33-53-51-27-15-17-29-64(51)76-68(53)66;1-66-52-37-61(69-57-32-28-42(35-50(57)63-44-16-4-2-14-39(44)26-30-59(63)69)67-53-22-10-6-18-46(53)47-19-7-11-23-54(47)67)41(38-65)34-62(52)70-58-33-29-43(36-51(58)64-45-17-5-3-15-40(45)27-31-60(64)70)68-55-24-12-8-20-48(55)49-21-9-13-25-56(49)68;1-66-56-41-61(69-57-36-32-50(67(46-20-6-2-7-21-46)47-22-8-3-9-23-47)39-54(57)63-52-28-16-14-18-43(52)30-34-59(63)69)45(42-65)38-62(56)70-58-37-33-51(68(48-24-10-4-11-25-48)49-26-12-5-13-27-49)40-55(58)64-53-29-17-15-19-44(53)31-35-60(64)70/h2-37H;2-41H;2-37H;2-41H.
What are the key properties of 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?
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 has a molecular weight of 3724.28 g/mol, XLogP of 71.69, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158176115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).