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

C137H89N13O2 — CID 158521766

IUPAC4-([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
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(C#N)c(C#N)c4-n4c5ccccc5c5ccccc54)c3cc21.N#Cc1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3ccccc32)c1C#N.[C-]#[N+]c1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4oc5ccccc5c4ccc32)c(C#N)cc1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C58H43N5O.C41H26N4.C38H20N4O/c1-57(2,3)35-20-24-48-42(29-35)43-30-36(58(4,5)6)21-25-49(43)62(48)53-28-34(33-59)52(32-45(53)60-7)63-50-26-22-37(61-46-17-11-8-14-38(46)39-15-9-12-18-47(39)61)31-44(50)55-51(63)27-23-41-40-16-10-13-19-54(40)64-56(41)55;1-41(2)33-15-7-3-11-26(33)30-21-31-29-14-6-8-16-35(29)44(39(31)22-34(30)41)38-20-19-25(23-42)32(24-43)40(38)45-36-17-9-4-12-27(36)28-13-5-10-18-37(28)45;39-21-23-17-19-34(37(29(23)22-40)42-30-13-5-1-9-24(30)25-10-2-6-14-31(25)42)41-32-15-7-3-12-28(32)36-33(41)20-18-27-26-11-4-8-16-35(26)43-38(27)36/h8-32H,1-6H3;3-22H,1-2H3;1-20H
InChIKeyHMHMNKXPLQZRNL-UHFFFAOYSA-N
MW1949.31 g/mol
LogP35.35
Rot. Bonds7

About 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

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 (PubChem CID 158521766) has the molecular formula C137H89N13O2 and a molecular weight of 1949.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-([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
PubChem CID158521766
Molecular FormulaC137H89N13O2
Molecular Weight1949.31 g/mol
Exact Mass1947.73
IUPAC Name4-([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
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(C#N)c(C#N)c4-n4c5ccccc5c5ccccc54)c3cc21.N#Cc1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3ccccc32)c1C#N.[C-]#[N+]c1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4oc5ccccc5c4ccc32)c(C#N)cc1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C58H43N5O.C41H26N4.C38H20N4O/c1-57(2,3)35-20-24-48-42(29-35)43-30-36(58(4,5)6)21-25-49(43)62(48)53-28-34(33-59)52(32-45(53)60-7)63-50-26-22-37(61-46-17-11-8-14-38(46)39-15-9-12-18-47(39)61)31-44(50)55-51(63)27-23-41-40-16-10-13-19-54(40)64-56(41)55;1-41(2)33-15-7-3-11-26(33)30-21-31-29-14-6-8-16-35(29)44(39(31)22-34(30)41)38-20-19-25(23-42)32(24-43)40(38)45-36-17-9-4-12-27(36)28-13-5-10-18-37(28)45;39-21-23-17-19-34(37(29(23)22-40)42-30-13-5-1-9-24(30)25-10-2-6-14-31(25)42)41-32-15-7-3-12-28(32)36-33(41)20-18-27-26-11-4-8-16-35(26)43-38(27)36/h8-32H,1-6H3;3-22H,1-2H3;1-20H
InChIKeyHMHMNKXPLQZRNL-UHFFFAOYSA-N
XLogP35.35
TPSA184.10 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001949.31
LogP ≤ 535.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 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 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;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
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-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-carbazol-9-ylcarbazol-9-yl)-4-isocyanobenzonitrile
CID 153462287
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
5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-2-(2-carbazol-9-yl-7,7-dimethylindeno[2,1-b]carbazol-5-yl)-4-isocyanobenzonitrile
CID 153462427
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
3,5-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3,5-bis(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2,4-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;3,5-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3,6-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 161007750
2-(2-carbazol-9-yl-7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(3-carbazol-9-yl-11-phenylindolo[2,3-a]carbazol-12-yl)-4-isocyanobenzonitrile
CID 153462041
4-isocyano-2,5-bis[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzonitrile
CID 153461832
3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-4-isocyanobenzonitrile;3-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-(3,6-ditert-butylcarbazol-9-yl)-4-isocyanobenzonitrile;3-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-diphenylcarbazol-9-yl)-4-isocyanobenzonitrile;2-carbazol-9-yl-5-isocyano-4-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
CID 161274257
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90057439

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(C#N)c(C#N)c4-n4c5ccccc5c5ccccc54)c3cc21.N#Cc1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3ccccc32)c1C#N.[C-]#[N+]c1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4oc5ccccc5c4ccc32)c(C#N)cc1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.
What is the InChIKey of 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?
The InChIKey is HMHMNKXPLQZRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43N5O.C41H26N4.C38H20N4O/c1-57(2,3)35-20-24-48-42(29-35)43-30-36(58(4,5)6)21-25-49(43)62(48)53-28-34(33-59)52(32-45(53)60-7)63-50-26-22-37(61-46-17-11-8-14-38(46)39-15-9-12-18-47(39)61)31-44(50)55-51(63)27-23-41-40-16-10-13-19-54(40)64-56(41)55;1-41(2)33-15-7-3-11-26(33)30-21-31-29-14-6-8-16-35(29)44(39(31)22-34(30)41)38-20-19-25(23-42)32(24-43)40(38)45-36-17-9-4-12-27(36)28-13-5-10-18-37(28)45;39-21-23-17-19-34(37(29(23)22-40)42-30-13-5-1-9-24(30)25-10-2-6-14-31(25)42)41-32-15-7-3-12-28(32)36-33(41)20-18-27-26-11-4-8-16-35(26)43-38(27)36/h8-32H,1-6H3;3-22H,1-2H3;1-20H.
What are the key properties of 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?
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 has a molecular weight of 1949.31 g/mol, XLogP of 35.35, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158521766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).