2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile

C54H29N5O — CID 121328699

IUPAC2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4oc5ccccc5c4ccc32)c(C#N)cc1-n1c2ccccc2c2c3ccccc3ccc21
InChIInChI=1S/C54H29N5O/c55-30-33-28-50(34(31-56)27-49(33)58-45-19-9-5-16-41(45)52-36-12-2-1-11-32(36)21-24-47(52)58)59-46-25-22-35(57-43-17-7-3-13-37(43)38-14-4-8-18-44(38)57)29-42(46)53-48(59)26-23-40-39-15-6-10-20-51(39)60-54(40)53/h1-29H
InChIKeyFAGIILGGHJYCPM-UHFFFAOYSA-N
MW763.86 g/mol
LogP13.77
Rot. Bonds3

About 2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile

2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile (PubChem CID 121328699) has the molecular formula C54H29N5O and a molecular weight of 763.86 g/mol. Its IUPAC name is 2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile
PubChem CID121328699
Molecular FormulaC54H29N5O
Molecular Weight763.86 g/mol
Exact Mass763.24
IUPAC Name2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4oc5ccccc5c4ccc32)c(C#N)cc1-n1c2ccccc2c2c3ccccc3ccc21
InChIInChI=1S/C54H29N5O/c55-30-33-28-50(34(31-56)27-49(33)58-45-19-9-5-16-41(45)52-36-12-2-1-11-32(36)21-24-47(52)58)59-46-25-22-35(57-43-17-7-3-13-37(43)38-14-4-8-18-44(38)57)29-42(46)53-48(59)26-23-40-39-15-6-10-20-51(39)60-54(40)53/h1-29H
InChIKeyFAGIILGGHJYCPM-UHFFFAOYSA-N
XLogP13.77
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.86
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-(3,6-ditert-butylcarbazol-9-yl)benzene-1,4-dicarbonitrile
CID 121328915
3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 121324616
4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile
CID 121307317
2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-carbazol-9-ylcarbazol-9-yl)-4-isocyanobenzonitrile
CID 153462287
2,5-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
4-benzo[c]carbazol-7-yl-6-(3-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 121329310
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
2-benzo[c]carbazol-7-yl-5-([1]benzofuro[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328536
2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 139339954
2-carbazol-9-yl-3-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile
CID 153462342

Frequently Asked Questions

What is the IUPAC name of 2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile?
The IUPAC name of 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) is 2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile is N#Cc1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4oc5ccccc5c4ccc32)c(C#N)cc1-n1c2ccccc2c2c3ccccc3ccc21.
What is the InChIKey of 2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile?
The InChIKey is FAGIILGGHJYCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H29N5O/c55-30-33-28-50(34(31-56)27-49(33)58-45-19-9-5-16-41(45)52-36-12-2-1-11-32(36)21-24-47(52)58)59-46-25-22-35(57-43-17-7-3-13-37(43)38-14-4-8-18-44(38)57)29-42(46)53-48(59)26-23-40-39-15-6-10-20-51(39)60-54(40)53/h1-29H.
What are the key properties of 2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile?
2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile has a molecular weight of 763.86 g/mol, XLogP of 13.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile is sourced from PubChem (CID 121328699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).