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;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile

C187H118N18O3 — CID 162051452

IUPAC5-([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;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(C#N)c(C#N)cc4-n4c5ccccc5c5ccccc54)c3cc21.N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4oc5ccccc5c4ccc32)cc1C#N.N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4oc5ccccc5c4ccc32)cc1C#N.[C-]#[N+]c1cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc(C#N)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C50H27N5O.C50H29N5O.C46H36N4O.C41H26N4/c51-28-30-25-46(54-42-18-8-3-13-35(42)36-14-4-9-19-43(36)54)47(26-31(30)29-52)55-44-23-21-32(53-40-16-6-1-11-33(40)34-12-2-7-17-41(34)53)27-39(44)49-45(55)24-22-38-37-15-5-10-20-48(37)56-50(38)49;51-30-32-27-46(54-42-20-10-7-17-37(42)38-18-8-11-21-43(38)54)47(28-33(32)31-52)55-44-25-23-36(53(34-13-3-1-4-14-34)35-15-5-2-6-16-35)29-41(44)49-45(55)26-24-40-39-19-9-12-22-48(39)56-50(40)49;1-45(2,3)28-16-19-38-34(23-28)35-24-29(46(4,5)6)17-20-39(35)50(38)43-27(26-47)22-30(25-36(43)48-7)49-37-14-10-8-13-33(37)42-40(49)21-18-32-31-12-9-11-15-41(31)51-44(32)42;1-41(2)33-15-7-3-11-27(33)31-21-32-30-14-6-10-18-37(30)45(38(32)22-34(31)41)40-20-26(24-43)25(23-42)19-39(40)44-35-16-8-4-12-28(35)29-13-5-9-17-36(29)44/h1-27H;1-29H;8-25H,1-6H3;3-22H,1-2H3
InChIKeyYYPHLYVSMVZMAK-UHFFFAOYSA-N
MW2665.12 g/mol
LogP48.34
Rot. Bonds12

About 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;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile

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;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile (PubChem CID 162051452) has the molecular formula C187H118N18O3 and a molecular weight of 2665.12 g/mol. Its IUPAC name is 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;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name5-([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;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
PubChem CID162051452
Molecular FormulaC187H118N18O3
Molecular Weight2665.12 g/mol
Exact Mass2662.96
IUPAC Name5-([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;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(C#N)c(C#N)cc4-n4c5ccccc5c5ccccc54)c3cc21.N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4oc5ccccc5c4ccc32)cc1C#N.N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4oc5ccccc5c4ccc32)cc1C#N.[C-]#[N+]c1cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc(C#N)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C50H27N5O.C50H29N5O.C46H36N4O.C41H26N4/c51-28-30-25-46(54-42-18-8-3-13-35(42)36-14-4-9-19-43(36)54)47(26-31(30)29-52)55-44-23-21-32(53-40-16-6-1-11-33(40)34-12-2-7-17-41(34)53)27-39(44)49-45(55)24-22-38-37-15-5-10-20-48(37)56-50(38)49;51-30-32-27-46(54-42-20-10-7-17-37(42)38-18-8-11-21-43(38)54)47(28-33(32)31-52)55-44-25-23-36(53(34-13-3-1-4-14-34)35-15-5-2-6-16-35)29-41(44)49-45(55)26-24-40-39-19-9-12-22-48(39)56-50(40)49;1-45(2,3)28-16-19-38-34(23-28)35-24-29(46(4,5)6)17-20-39(35)50(38)43-27(26-47)22-30(25-36(43)48-7)49-37-14-10-8-13-33(37)42-40(49)21-18-32-31-12-9-11-15-41(31)51-44(32)42;1-41(2)33-15-7-3-11-27(33)31-21-32-30-14-6-10-18-37(30)45(38(32)22-34(31)41)40-20-26(24-43)25(23-42)19-39(40)44-35-16-8-4-12-28(35)29-13-5-9-17-36(29)44/h1-27H;1-29H;8-25H,1-6H3;3-22H,1-2H3
InChIKeyYYPHLYVSMVZMAK-UHFFFAOYSA-N
XLogP48.34
TPSA257.92 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002665.12
LogP ≤ 548.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 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;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile with MolForge

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Related Compounds

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
4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-carbazol-9-ylbenzene-1,2-dicarbonitrile;2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-(3,6-ditert-butylcarbazol-9-yl)-4-isocyanobenzonitrile;3-carbazol-9-yl-4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 158521766
2,3-bis([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;2,3-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;2,3-bis(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;3-isocyano-2,5-bis[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzonitrile;5-isocyano-2,3-bis[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzonitrile
CID 159173295
5-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-carbazol-9-ylbenzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
CID 159499002
5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3-carbazol-9-ylcarbazol-9-yl)-3-isocyanobenzonitrile
CID 153462582
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
2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-(3,6-ditert-butylcarbazol-9-yl)benzene-1,4-dicarbonitrile
CID 121328915
2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-[7,7-dimethyl-2-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile
CID 121329269
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine
CID 90050684
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90057439
5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 121329198
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

Frequently Asked Questions

What is the IUPAC name of 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;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile?
The IUPAC name of 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;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile (CID 162051452) is 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;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 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;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 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;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(C#N)c(C#N)cc4-n4c5ccccc5c5ccccc54)c3cc21.N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4oc5ccccc5c4ccc32)cc1C#N.N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4oc5ccccc5c4ccc32)cc1C#N.[C-]#[N+]c1cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc(C#N)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.
What is the InChIKey of 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;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile?
The InChIKey is YYPHLYVSMVZMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H27N5O.C50H29N5O.C46H36N4O.C41H26N4/c51-28-30-25-46(54-42-18-8-3-13-35(42)36-14-4-9-19-43(36)54)47(26-31(30)29-52)55-44-23-21-32(53-40-16-6-1-11-33(40)34-12-2-7-17-41(34)53)27-39(44)49-45(55)24-22-38-37-15-5-10-20-48(37)56-50(38)49;51-30-32-27-46(54-42-20-10-7-17-37(42)38-18-8-11-21-43(38)54)47(28-33(32)31-52)55-44-25-23-36(53(34-13-3-1-4-14-34)35-15-5-2-6-16-35)29-41(44)49-45(55)26-24-40-39-19-9-12-22-48(39)56-50(40)49;1-45(2,3)28-16-19-38-34(23-28)35-24-29(46(4,5)6)17-20-39(35)50(38)43-27(26-47)22-30(25-36(43)48-7)49-37-14-10-8-13-33(37)42-40(49)21-18-32-31-12-9-11-15-41(31)51-44(32)42;1-41(2)33-15-7-3-11-27(33)31-21-32-30-14-6-10-18-37(30)45(38(32)22-34(31)41)40-20-26(24-43)25(23-42)19-39(40)44-35-16-8-4-12-28(35)29-13-5-9-17-36(29)44/h1-27H;1-29H;8-25H,1-6H3;3-22H,1-2H3.
What are the key properties of 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;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile?
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;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile has a molecular weight of 2665.12 g/mol, XLogP of 48.34, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 162051452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).