2-(3,4-dihydro-[1]benzofuro[3,2-a]carbazol-12-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile

C48H28N4O — CID 163939483

IUPAC2-(3,4-dihydro-[1]benzofuro[3,2-a]carbazol-12-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccc4oc5c(c4c32)C=CCC5)c(C#N)cc1-n1c2ccc(-c3ccccc3)cc2c2c3ccccc3ccc21
InChIInChI=1S/C48H28N4O/c49-27-32-26-43(52-39-16-8-6-14-35(39)36-20-23-45-47(48(36)52)37-15-7-9-17-44(37)53-45)33(28-50)25-42(32)51-40-21-19-31(29-10-2-1-3-11-29)24-38(40)46-34-13-5-4-12-30(34)18-22-41(46)51/h1-8,10-16,18-26H,9,17H2
InChIKeyRPTPICIVBVEGJV-UHFFFAOYSA-N
MW676.78 g/mol
LogP12.15
Rot. Bonds3

About 2-(3,4-dihydro-[1]benzofuro[3,2-a]carbazol-12-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile

2-(3,4-dihydro-[1]benzofuro[3,2-a]carbazol-12-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile (PubChem CID 163939483) has the molecular formula C48H28N4O and a molecular weight of 676.78 g/mol. Its IUPAC name is 2-(3,4-dihydro-[1]benzofuro[3,2-a]carbazol-12-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-(3,4-dihydro-[1]benzofuro[3,2-a]carbazol-12-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
PubChem CID163939483
Molecular FormulaC48H28N4O
Molecular Weight676.78 g/mol
Exact Mass676.23
IUPAC Name2-(3,4-dihydro-[1]benzofuro[3,2-a]carbazol-12-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccc4oc5c(c4c32)C=CCC5)c(C#N)cc1-n1c2ccc(-c3ccccc3)cc2c2c3ccccc3ccc21
InChIInChI=1S/C48H28N4O/c49-27-32-26-43(52-39-16-8-6-14-35(39)36-20-23-45-47(48(36)52)37-15-7-9-17-44(37)53-45)33(28-50)25-42(32)51-40-21-19-31(29-10-2-1-3-11-29)24-38(40)46-34-13-5-4-12-30(34)18-22-41(46)51/h1-8,10-16,18-26H,9,17H2
InChIKeyRPTPICIVBVEGJV-UHFFFAOYSA-N
XLogP12.15
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.78
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3,4-dihydro-[1]benzofuro[3,2-a]carbazol-12-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile
CID 145306684
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
2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328709
2-benzo[c]carbazol-7-yl-5-[10-[4-(2-phenylpropan-2-yl)phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
CID 155417153
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-tert-butylphenyl)-4,6-di(carbazol-9-yl)-2-(3,4-dihydro-[1]benzofuro[3,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 146562394
2-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-[10-(3-phenylphenyl)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 155450671
5-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-isocyano-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
CID 153462620
2-benzo[c]carbazol-7-yl-3-[3-[7-(5-benzo[c]carbazol-7-yl-2,4-dicyanophenyl)benzo[c]carbazol-10-yl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
CID 155449841
2-benzo[c]carbazol-7-yl-5-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzene-1,4-dicarbonitrile
CID 121328873
5-benzo[c]carbazol-7-yl-4-(3-phenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 144765572
5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-(3,6-diphenylcarbazol-9-yl)benzene-1,2-dicarbonitrile
CID 121324579

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-[1]benzofuro[3,2-a]carbazol-12-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile?
The IUPAC name of 2-(3,4-dihydro-[1]benzofuro[3,2-a]carbazol-12-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile (CID 163939483) is 2-(3,4-dihydro-[1]benzofuro[3,2-a]carbazol-12-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-(3,4-dihydro-[1]benzofuro[3,2-a]carbazol-12-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-(3,4-dihydro-[1]benzofuro[3,2-a]carbazol-12-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile is N#Cc1cc(-n2c3ccccc3c3ccc4oc5c(c4c32)C=CCC5)c(C#N)cc1-n1c2ccc(-c3ccccc3)cc2c2c3ccccc3ccc21.
What is the InChIKey of 2-(3,4-dihydro-[1]benzofuro[3,2-a]carbazol-12-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile?
The InChIKey is RPTPICIVBVEGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4O/c49-27-32-26-43(52-39-16-8-6-14-35(39)36-20-23-45-47(48(36)52)37-15-7-9-17-44(37)53-45)33(28-50)25-42(32)51-40-21-19-31(29-10-2-1-3-11-29)24-38(40)46-34-13-5-4-12-30(34)18-22-41(46)51/h1-8,10-16,18-26H,9,17H2.
What are the key properties of 2-(3,4-dihydro-[1]benzofuro[3,2-a]carbazol-12-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile?
2-(3,4-dihydro-[1]benzofuro[3,2-a]carbazol-12-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile has a molecular weight of 676.78 g/mol, XLogP of 12.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-[1]benzofuro[3,2-a]carbazol-12-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile is sourced from PubChem (CID 163939483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).