9-(8-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile

C43H24N2O2 — CID 147134992

IUPAC9-(8-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3cccc4c3oc3c(-c5ccccc5)cc(-c5cccc6oc7ccccc7c56)cc34)c2c1
InChIInChI=1S/C43H24N2O2/c44-25-26-20-21-31-30-12-4-6-16-36(30)45(38(31)22-26)37-17-8-15-32-35-24-28(23-34(42(35)47-43(32)37)27-10-2-1-3-11-27)29-14-9-19-40-41(29)33-13-5-7-18-39(33)46-40/h1-24H
InChIKeyBQZHBWWGWBSYNV-UHFFFAOYSA-N
MW600.68 g/mol
LogP11.79
Rot. Bonds3

About 9-(8-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile

9-(8-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile (PubChem CID 147134992) has the molecular formula C43H24N2O2 and a molecular weight of 600.68 g/mol. Its IUPAC name is 9-(8-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-(8-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile
PubChem CID147134992
Molecular FormulaC43H24N2O2
Molecular Weight600.68 g/mol
Exact Mass600.18
IUPAC Name9-(8-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3cccc4c3oc3c(-c5ccccc5)cc(-c5cccc6oc7ccccc7c56)cc34)c2c1
InChIInChI=1S/C43H24N2O2/c44-25-26-20-21-31-30-12-4-6-16-36(30)45(38(31)22-26)37-17-8-15-32-35-24-28(23-34(42(35)47-43(32)37)27-10-2-1-3-11-27)29-14-9-19-40-41(29)33-13-5-7-18-39(33)46-40/h1-24H
InChIKeyBQZHBWWGWBSYNV-UHFFFAOYSA-N
XLogP11.79
TPSA55.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.68
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 149138143
6-carbazol-9-yl-2-dibenzofuran-1-yldibenzofuran-4-carbonitrile
CID 153148571
9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 147906665
9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 147995432
9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 149059833
9-(6-cyano-8-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 149228973
9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 149026913
9-(9-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-2-carbonitrile
CID 147486433
6-carbazol-9-yl-2-dibenzofuran-4-yldibenzofuran-4-carbonitrile
CID 147298764
9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)-2-phenylcarbazole
CID 148764046
9-(8-dibenzofuran-1-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(8-dibenzofuran-2-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(8-dibenzofuran-3-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzofuran-4-yldibenzothiophen-4-yl)-2-phenylcarbazole
CID 158620921
9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 134337735

Frequently Asked Questions

What is the IUPAC name of 9-(8-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile?
The IUPAC name of 9-(8-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile (CID 147134992) is 9-(8-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile.
What is the SMILES notation for 9-(8-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile?
The canonical SMILES for 9-(8-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile is N#Cc1ccc2c3ccccc3n(-c3cccc4c3oc3c(-c5ccccc5)cc(-c5cccc6oc7ccccc7c56)cc34)c2c1.
What is the InChIKey of 9-(8-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile?
The InChIKey is BQZHBWWGWBSYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N2O2/c44-25-26-20-21-31-30-12-4-6-16-36(30)45(38(31)22-26)37-17-8-15-32-35-24-28(23-34(42(35)47-43(32)37)27-10-2-1-3-11-27)29-14-9-19-40-41(29)33-13-5-7-18-39(33)46-40/h1-24H.
What are the key properties of 9-(8-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile?
9-(8-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile has a molecular weight of 600.68 g/mol, XLogP of 11.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile is sourced from PubChem (CID 147134992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).