2-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile

C55H32N4O — CID 129291167

IUPAC2-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1-c1ccc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)cc1
InChIInChI=1S/C55H32N4O/c56-33-35-24-27-38(58-49-20-10-6-17-43(49)54-50(58)29-28-42-39-14-4-9-19-48(39)59(55(42)54)36-12-2-1-3-13-36)30-44(35)34-22-25-37(26-23-34)57-47-18-8-5-15-40(47)45-31-46-41-16-7-11-21-52(41)60-53(46)32-51(45)57/h1-32H
InChIKeyJDAUPVPXRWMNOA-UHFFFAOYSA-N
MW764.89 g/mol
LogP14.42
Rot. Bonds4

About 2-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile

2-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile (PubChem CID 129291167) has the molecular formula C55H32N4O and a molecular weight of 764.89 g/mol. Its IUPAC name is 2-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile.

Molecular Properties

Compound Name2-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
PubChem CID129291167
Molecular FormulaC55H32N4O
Molecular Weight764.89 g/mol
Exact Mass764.26
IUPAC Name2-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1-c1ccc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)cc1
InChIInChI=1S/C55H32N4O/c56-33-35-24-27-38(58-49-20-10-6-17-43(49)54-50(58)29-28-42-39-14-4-9-19-48(39)59(55(42)54)36-12-2-1-3-13-36)30-44(35)34-22-25-37(26-23-34)57-47-18-8-5-15-40(47)45-31-46-41-16-7-11-21-52(41)60-53(46)32-51(45)57/h1-32H
InChIKeyJDAUPVPXRWMNOA-UHFFFAOYSA-N
XLogP14.42
TPSA51.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.89
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-phenylbenzene-1,3-dicarbonitrile
CID 139339961
5-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[2,3-b]carbazol-7-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;2-(4-carbazol-9-ylphenyl)-5-(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 165038768
4-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2,6-diphenylphenyl]benzene-1,2-dicarbonitrile
CID 140903284
12-dibenzofuran-2-yl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 163700915
2-[4-[12-[4-(2-cyanophenyl)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]benzonitrile
CID 135252875
2-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-phenylbenzene-1,3-dicarbonitrile;2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-dibenzofuran-2-ylphenyl]-4-(4-cyanophenyl)benzonitrile;2-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-dibenzofuran-2-ylphenyl]phenyl]benzene-1,3-dicarbonitrile
CID 159299264
2-[4-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]benzonitrile;2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-dibenzothiophen-2-ylphenyl]-5-phenylbenzene-1,3-dicarbonitrile;5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-dibenzothiophen-2-ylphenyl]-2-phenylbenzene-1,3-dicarbonitrile
CID 160928649
2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile
CID 129290851
12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169015007
2-[2-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,4-dicarbonitrile
CID 140903238
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-5-phenylindolo[3,2-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 160560099
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
The IUPAC name of 2-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile (CID 129291167) is 2-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile.
What is the SMILES notation for 2-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
The canonical SMILES for 2-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile is N#Cc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1-c1ccc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)cc1.
What is the InChIKey of 2-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
The InChIKey is JDAUPVPXRWMNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4O/c56-33-35-24-27-38(58-49-20-10-6-17-43(49)54-50(58)29-28-42-39-14-4-9-19-48(39)59(55(42)54)36-12-2-1-3-13-36)30-44(35)34-22-25-37(26-23-34)57-47-18-8-5-15-40(47)45-31-46-41-16-7-11-21-52(41)60-53(46)32-51(45)57/h1-32H.
What are the key properties of 2-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
2-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile has a molecular weight of 764.89 g/mol, XLogP of 14.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile is sourced from PubChem (CID 129291167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).