9-(6-cyano-8-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile

C38H19N3O2 — CID 149228973

IUPAC9-(6-cyano-8-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3cccc4c3oc3c(C#N)cc(-c5ccc6oc7ccccc7c6c5)cc34)c2c1
InChIInChI=1S/C38H19N3O2/c39-20-22-12-14-27-26-6-1-3-9-32(26)41(34(27)16-22)33-10-5-8-29-31-19-24(17-25(21-40)37(31)43-38(29)33)23-13-15-36-30(18-23)28-7-2-4-11-35(28)42-36/h1-19H
InChIKeyXJXSLBUYUCJFON-UHFFFAOYSA-N
MW549.59 g/mol
LogP9.99
Rot. Bonds2

About 9-(6-cyano-8-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile

9-(6-cyano-8-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile (PubChem CID 149228973) has the molecular formula C38H19N3O2 and a molecular weight of 549.59 g/mol. Its IUPAC name is 9-(6-cyano-8-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-(6-cyano-8-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
PubChem CID149228973
Molecular FormulaC38H19N3O2
Molecular Weight549.59 g/mol
Exact Mass549.15
IUPAC Name9-(6-cyano-8-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3cccc4c3oc3c(C#N)cc(-c5ccc6oc7ccccc7c6c5)cc34)c2c1
InChIInChI=1S/C38H19N3O2/c39-20-22-12-14-27-26-6-1-3-9-32(26)41(34(27)16-22)33-10-5-8-29-31-19-24(17-25(21-40)37(31)43-38(29)33)23-13-15-36-30(18-23)28-7-2-4-11-35(28)42-36/h1-19H
InChIKeyXJXSLBUYUCJFON-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

9-(6-cyano-8-dibenzothiophen-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 146810331
9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 149026913
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 149138143
6-carbazol-9-yl-2-dibenzofuran-4-yldibenzofuran-4-carbonitrile
CID 147298764
6-carbazol-9-yl-2-dibenzofuran-1-yldibenzofuran-4-carbonitrile
CID 153148571
6-carbazol-9-yl-2-dibenzothiophen-3-yldibenzofuran-4-carbonitrile
CID 149287115
3-dibenzofuran-2-yl-9-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)carbazole
CID 146647920
9-(8-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 147134992
6-[4-(1-cyanocarbazol-9-yl)-3-dibenzofuran-2-ylphenyl]-9-(2-dibenzofuran-2-ylphenyl)carbazole-2-carbonitrile
CID 167006192
2-dibenzofuran-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzofuran-4-carbonitrile
CID 147295774
9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile
CID 118396690
9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 149059833

Frequently Asked Questions

What is the IUPAC name of 9-(6-cyano-8-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile?
The IUPAC name of 9-(6-cyano-8-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile (CID 149228973) is 9-(6-cyano-8-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile.
What is the SMILES notation for 9-(6-cyano-8-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile?
The canonical SMILES for 9-(6-cyano-8-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile is N#Cc1ccc2c3ccccc3n(-c3cccc4c3oc3c(C#N)cc(-c5ccc6oc7ccccc7c6c5)cc34)c2c1.
What is the InChIKey of 9-(6-cyano-8-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile?
The InChIKey is XJXSLBUYUCJFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H19N3O2/c39-20-22-12-14-27-26-6-1-3-9-32(26)41(34(27)16-22)33-10-5-8-29-31-19-24(17-25(21-40)37(31)43-38(29)33)23-13-15-36-30(18-23)28-7-2-4-11-35(28)42-36/h1-19H.
What are the key properties of 9-(6-cyano-8-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile?
9-(6-cyano-8-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-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-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile is sourced from PubChem (CID 149228973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).