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

C40H22N4 — CID 121328874

IUPAC2,5-bis(benzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c4ccccc4ccc32)cc(C#N)c1-n1c2ccccc2c2c3ccccc3ccc21
InChIInChI=1S/C40H22N4/c41-23-27-21-29(43-34-15-7-5-13-32(34)38-30-11-3-1-9-25(30)17-19-36(38)43)22-28(24-42)40(27)44-35-16-8-6-14-33(35)39-31-12-4-2-10-26(31)18-20-37(39)44/h1-22H
InChIKeySBTDTAXBWSKRSO-UHFFFAOYSA-N
MW558.64 g/mol
LogP9.93
Rot. Bonds2

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

2,5-bis(benzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile (PubChem CID 121328874) has the molecular formula C40H22N4 and a molecular weight of 558.64 g/mol. Its IUPAC name is 2,5-bis(benzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2,5-bis(benzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile
PubChem CID121328874
Molecular FormulaC40H22N4
Molecular Weight558.64 g/mol
Exact Mass558.18
IUPAC Name2,5-bis(benzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c4ccccc4ccc32)cc(C#N)c1-n1c2ccccc2c2c3ccccc3ccc21
InChIInChI=1S/C40H22N4/c41-23-27-21-29(43-34-15-7-5-13-32(34)38-30-11-3-1-9-25(30)17-19-36(38)43)22-28(24-42)40(27)44-35-16-8-6-14-33(35)39-31-12-4-2-10-26(31)18-20-37(39)44/h1-22H
InChIKeySBTDTAXBWSKRSO-UHFFFAOYSA-N
XLogP9.93
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.64
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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)-2-carbazol-9-yl-3-isocyanobenzonitrile
CID 153462564
4-benzo[c]carbazol-7-yl-6-(3-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 121329310
2,5-bis(24-phenyl-9,24-diazahexacyclo[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-9-yl)benzene-1,4-dicarbonitrile
CID 121328528
2-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-[10-(3-phenylphenyl)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 155450671
2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572232
5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile
CID 121328756
7-(4-carbazol-9-ylphenyl)benzo[c]carbazole
CID 70836917
5-benzo[c]carbazol-7-ylbenzene-1,3-diol
CID 164835898
2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 121324500
2,5-bis(12,12-diphenylindeno[1,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 166572256
5-benzo[c]carbazol-7-yl-4-(3-phenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 144765572
2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
CID 121328605

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(benzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2,5-bis(benzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile (CID 121328874) is 2,5-bis(benzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2,5-bis(benzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2,5-bis(benzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile is N#Cc1cc(-n2c3ccccc3c3c4ccccc4ccc32)cc(C#N)c1-n1c2ccccc2c2c3ccccc3ccc21.
What is the InChIKey of 2,5-bis(benzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile?
The InChIKey is SBTDTAXBWSKRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N4/c41-23-27-21-29(43-34-15-7-5-13-32(34)38-30-11-3-1-9-25(30)17-19-36(38)43)22-28(24-42)40(27)44-35-16-8-6-14-33(35)39-31-12-4-2-10-26(31)18-20-37(39)44/h1-22H.
What are the key properties of 2,5-bis(benzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile?
2,5-bis(benzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile has a molecular weight of 558.64 g/mol, XLogP of 9.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(benzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 121328874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).