2-dibenzofuran-4-yl-4-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile

C44H25N3O — CID 118920574

IUPAC2-dibenzofuran-4-yl-4-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(C#N)c1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C44H25N3O/c45-26-32-20-23-41(38(27-46)43(32)35-16-9-15-34-33-14-7-8-17-42(33)48-44(34)35)47-39-21-18-30(28-10-3-1-4-11-28)24-36(39)37-25-31(19-22-40(37)47)29-12-5-2-6-13-29/h1-25H
InChIKeyJTGTXSLBIIVHCF-UHFFFAOYSA-N
MW611.70 g/mol
LogP11.43
Rot. Bonds4

About 2-dibenzofuran-4-yl-4-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile

2-dibenzofuran-4-yl-4-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile (PubChem CID 118920574) has the molecular formula C44H25N3O and a molecular weight of 611.70 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
PubChem CID118920574
Molecular FormulaC44H25N3O
Molecular Weight611.70 g/mol
Exact Mass611.20
IUPAC Name2-dibenzofuran-4-yl-4-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(C#N)c1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C44H25N3O/c45-26-32-20-23-41(38(27-46)43(32)35-16-9-15-34-33-14-7-8-17-42(33)48-44(34)35)47-39-21-18-30(28-10-3-1-4-11-28)24-36(39)37-25-31(19-22-40(37)47)29-12-5-2-6-13-29/h1-25H
InChIKeyJTGTXSLBIIVHCF-UHFFFAOYSA-N
XLogP11.43
TPSA65.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.70
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzofuran-4-carbonitrile
CID 147295774
2,4-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 121328770
3,4-bis(3,6-diphenylcarbazol-9-yl)dibenzofuran-2-carbonitrile
CID 155139713
3,6-bis[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
CID 121324538
1,4-bis(3,6-diphenylcarbazol-9-yl)dibenzofuran-2-carbonitrile
CID 155139834
3,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 121324543
2-dibenzofuran-2-yl-6-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile
CID 122576020
9-[2-carbazol-9-yl-4-dibenzofuran-4-yl-5,6-bis(3,6-diphenylcarbazol-9-yl)-3-pyridinyl]-3,6-diphenylcarbazole
CID 150433689
4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzene-1,3-dicarbonitrile
CID 155081385
3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile
CID 122414420
2,3,4-tris(3,6-diphenylcarbazol-9-yl)dibenzofuran-1-carbonitrile
CID 146563392
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-dibenzofuran-4-yl-4-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile (CID 118920574) is 2-dibenzofuran-4-yl-4-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile is N#Cc1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(C#N)c1-c1cccc2c1oc1ccccc12.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile?
The InChIKey is JTGTXSLBIIVHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N3O/c45-26-32-20-23-41(38(27-46)43(32)35-16-9-15-34-33-14-7-8-17-42(33)48-44(34)35)47-39-21-18-30(28-10-3-1-4-11-28)24-36(39)37-25-31(19-22-40(37)47)29-12-5-2-6-13-29/h1-25H.
What are the key properties of 2-dibenzofuran-4-yl-4-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile?
2-dibenzofuran-4-yl-4-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile has a molecular weight of 611.70 g/mol, XLogP of 11.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 118920574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).