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

C42H22N4O — CID 121328536

IUPAC2-benzo[c]carbazol-7-yl-5-([1]benzofuro[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccccc2c2cc3c(cc21)oc1ccccc13
InChIInChI=1S/C42H22N4O/c43-23-26-20-38(46-34-14-6-3-11-29(34)32-21-33-30-12-5-8-16-40(30)47-41(33)22-39(32)46)27(24-44)19-37(26)45-35-15-7-4-13-31(35)42-28-10-2-1-9-25(28)17-18-36(42)45/h1-22H
InChIKeyVHNYYEOBMSHTHO-UHFFFAOYSA-N
MW598.67 g/mol
LogP10.68
Rot. Bonds2

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

2-benzo[c]carbazol-7-yl-5-([1]benzofuro[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile (PubChem CID 121328536) has the molecular formula C42H22N4O and a molecular weight of 598.67 g/mol. Its IUPAC name is 2-benzo[c]carbazol-7-yl-5-([1]benzofuro[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-benzo[c]carbazol-7-yl-5-([1]benzofuro[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile
PubChem CID121328536
Molecular FormulaC42H22N4O
Molecular Weight598.67 g/mol
Exact Mass598.18
IUPAC Name2-benzo[c]carbazol-7-yl-5-([1]benzofuro[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccccc2c2cc3c(cc21)oc1ccccc13
InChIInChI=1S/C42H22N4O/c43-23-26-20-38(46-34-14-6-3-11-29(34)32-21-33-30-12-5-8-16-40(30)47-41(33)22-39(32)46)27(24-44)19-37(26)45-35-15-7-4-13-31(35)42-28-10-2-1-9-25(28)17-18-36(42)45/h1-22H
InChIKeyVHNYYEOBMSHTHO-UHFFFAOYSA-N
XLogP10.68
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.67
LogP ≤ 510.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzo[c]carbazol-7-yl-2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-isocyanobenzonitrile
CID 153461922
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
4-benzo[c]carbazol-7-yl-6-(3-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 121329310
2,5-bis(9-oxa-24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-24-yl)benzene-1,4-dicarbonitrile
CID 121329229
5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile
CID 129291132
2-benzo[c]carbazol-7-yl-5-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzene-1,4-dicarbonitrile
CID 121328873
4,6-di(carbazol-9-yl)-5-dibenzofuran-2-yl-2-(22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-12-yl)benzene-1,3-dicarbonitrile
CID 146562135
2-[4-[(1Z)-buta-1,3-dienyl]-3-methylcarbazol-9-yl]-5-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 155450108
4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile
CID 121307317
3-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]-4-carbazol-9-ylbenzonitrile
CID 129300202
2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121307193
2,5-bis(12-oxa-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaen-23-yl)benzene-1,4-dicarbonitrile
CID 121328546

Frequently Asked Questions

What is the IUPAC name of 2-benzo[c]carbazol-7-yl-5-([1]benzofuro[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile?
The IUPAC name of 2-benzo[c]carbazol-7-yl-5-([1]benzofuro[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile (CID 121328536) is 2-benzo[c]carbazol-7-yl-5-([1]benzofuro[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-benzo[c]carbazol-7-yl-5-([1]benzofuro[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-benzo[c]carbazol-7-yl-5-([1]benzofuro[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile is N#Cc1cc(-n2c3ccccc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccccc2c2cc3c(cc21)oc1ccccc13.
What is the InChIKey of 2-benzo[c]carbazol-7-yl-5-([1]benzofuro[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile?
The InChIKey is VHNYYEOBMSHTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H22N4O/c43-23-26-20-38(46-34-14-6-3-11-29(34)32-21-33-30-12-5-8-16-40(30)47-41(33)22-39(32)46)27(24-44)19-37(26)45-35-15-7-4-13-31(35)42-28-10-2-1-9-25(28)17-18-36(42)45/h1-22H.
What are the key properties of 2-benzo[c]carbazol-7-yl-5-([1]benzofuro[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile?
2-benzo[c]carbazol-7-yl-5-([1]benzofuro[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile has a molecular weight of 598.67 g/mol, XLogP of 10.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[c]carbazol-7-yl-5-([1]benzofuro[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile is sourced from PubChem (CID 121328536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).