2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile

C64H34N4O2 — CID 121307193

IUPAC2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)c(C#N)c(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C64H34N4O2/c65-35-37-29-57(67-53-23-19-40(33-50(53)63-44-11-3-1-9-38(44)17-25-55(63)67)42-21-27-61-48(31-42)46-13-5-7-15-59(46)69-61)52(36-66)58(30-37)68-54-24-20-41(34-51(54)64-45-12-4-2-10-39(45)18-26-56(64)68)43-22-28-62-49(32-43)47-14-6-8-16-60(47)70-62/h1-34H
InChIKeyWMANOSSYAIOESC-UHFFFAOYSA-N
MW891.00 g/mol
LogP17.06
Rot. Bonds4

About 2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile

2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile (PubChem CID 121307193) has the molecular formula C64H34N4O2 and a molecular weight of 891.00 g/mol. Its IUPAC name is 2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
PubChem CID121307193
Molecular FormulaC64H34N4O2
Molecular Weight891.00 g/mol
Exact Mass890.27
IUPAC Name2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)c(C#N)c(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C64H34N4O2/c65-35-37-29-57(67-53-23-19-40(33-50(53)63-44-11-3-1-9-38(44)17-25-55(63)67)42-21-27-61-48(31-42)46-13-5-7-15-59(46)69-61)52(36-66)58(30-37)68-54-24-20-41(34-51(54)64-45-12-4-2-10-39(45)18-26-56(64)68)43-22-28-62-49(32-43)47-14-6-8-16-60(47)70-62/h1-34H
InChIKeyWMANOSSYAIOESC-UHFFFAOYSA-N
XLogP17.06
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.00
LogP ≤ 517.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-methanimidoylbenzonitrile
CID 121307218
2,6-bis(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)benzene-1,4-dicarbonitrile
CID 121328609
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-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile
CID 153462513
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
2,4-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-6-isocyanobenzonitrile;2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;3,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;3,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-2-isocyanobenzonitrile;2-(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanobenzonitrile
CID 160921700
2-benzo[c]carbazol-7-yl-5-([1]benzofuro[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328536
2-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-[10-(3-phenylphenyl)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 155450671
3,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 121324543
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
2,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-methylbenzo[c]carbazol-7-yl)benzonitrile;4-isocyano-2,5-bis(10-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzonitrile
CID 158388291
5-[[2-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]methyl]benzene-1,3-dicarbonitrile
CID 163457193

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile?
The IUPAC name of 2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile (CID 121307193) is 2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile?
The canonical SMILES for 2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile is N#Cc1cc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)c(C#N)c(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)c1.
What is the InChIKey of 2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile?
The InChIKey is WMANOSSYAIOESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H34N4O2/c65-35-37-29-57(67-53-23-19-40(33-50(53)63-44-11-3-1-9-38(44)17-25-55(63)67)42-21-27-61-48(31-42)46-13-5-7-15-59(46)69-61)52(36-66)58(30-37)68-54-24-20-41(34-51(54)64-45-12-4-2-10-39(45)18-26-56(64)68)43-22-28-62-49(32-43)47-14-6-8-16-60(47)70-62/h1-34H.
What are the key properties of 2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile?
2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile has a molecular weight of 891.00 g/mol, XLogP of 17.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile is sourced from PubChem (CID 121307193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).