9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile

C38H19N3O2 — CID 149026913

IUPAC9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1oc1c(C#N)cc(-c3cccc4c3oc3ccccc34)cc12
InChIInChI=1S/C38H19N3O2/c39-20-22-15-16-33-30(17-22)26-7-1-3-12-32(26)41(33)34-13-6-11-29-31-19-23(18-24(21-40)36(31)43-38(29)34)25-9-5-10-28-27-8-2-4-14-35(27)42-37(25)28/h1-19H
InChIKeyQEOXOERRVLQUNT-UHFFFAOYSA-N
MW549.59 g/mol
LogP9.99
Rot. Bonds2

About 9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile

9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile (PubChem CID 149026913) has the molecular formula C38H19N3O2 and a molecular weight of 549.59 g/mol. Its IUPAC name is 9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
PubChem CID149026913
Molecular FormulaC38H19N3O2
Molecular Weight549.59 g/mol
Exact Mass549.15
IUPAC Name9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1oc1c(C#N)cc(-c3cccc4c3oc3ccccc34)cc12
InChIInChI=1S/C38H19N3O2/c39-20-22-15-16-33-30(17-22)26-7-1-3-12-32(26)41(33)34-13-6-11-29-31-19-23(18-24(21-40)36(31)43-38(29)34)25-9-5-10-28-27-8-2-4-14-35(27)42-37(25)28/h1-19H
InChIKeyQEOXOERRVLQUNT-UHFFFAOYSA-N
XLogP9.99
TPSA78.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.59
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-carbazol-9-yl-2-dibenzofuran-4-yldibenzofuran-4-carbonitrile
CID 147298764
2-dibenzofuran-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzofuran-4-carbonitrile
CID 147295774
6-carbazol-9-yl-2-dibenzofuran-1-yldibenzofuran-4-carbonitrile
CID 153148571
9-(6-cyano-8-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 149228973
9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 134337735
9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 147906665
9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 149059833
9-(8-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 147134992
9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 147349483
9-[5-(3-dibenzofuran-4-ylcarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile
CID 139303936
9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)carbazole-3-carbonitrile
CID 153204329
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 149138143

Frequently Asked Questions

What is the IUPAC name of 9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile?
The IUPAC name of 9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile (CID 149026913) is 9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile.
What is the SMILES notation for 9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile?
The canonical SMILES for 9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1oc1c(C#N)cc(-c3cccc4c3oc3ccccc34)cc12.
What is the InChIKey of 9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile?
The InChIKey is QEOXOERRVLQUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H19N3O2/c39-20-22-15-16-33-30(17-22)26-7-1-3-12-32(26)41(33)34-13-6-11-29-31-19-23(18-24(21-40)36(31)43-38(29)34)25-9-5-10-28-27-8-2-4-14-35(27)42-37(25)28/h1-19H.
What are the key properties of 9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile?
9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile has a molecular weight of 549.59 g/mol, XLogP of 9.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile is sourced from PubChem (CID 149026913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).