1,3-di(carbazol-9-yl)-6-phenyldibenzofuran-4-carbonitrile

C43H25N3O — CID 155131599

IUPAC1,3-di(carbazol-9-yl)-6-phenyldibenzofuran-4-carbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c2c1oc1c(-c3ccccc3)cccc12
InChIInChI=1S/C43H25N3O/c44-26-34-39(45-35-21-8-4-15-29(35)30-16-5-9-22-36(30)45)25-40(46-37-23-10-6-17-31(37)32-18-7-11-24-38(32)46)41-33-20-12-19-28(42(33)47-43(34)41)27-13-2-1-3-14-27/h1-25H
InChIKeyZGEBPQSQHMLXJS-UHFFFAOYSA-N
MW599.69 g/mol
LogP11.32
Rot. Bonds3

About 1,3-di(carbazol-9-yl)-6-phenyldibenzofuran-4-carbonitrile

1,3-di(carbazol-9-yl)-6-phenyldibenzofuran-4-carbonitrile (PubChem CID 155131599) has the molecular formula C43H25N3O and a molecular weight of 599.69 g/mol. Its IUPAC name is 1,3-di(carbazol-9-yl)-6-phenyldibenzofuran-4-carbonitrile.

Molecular Properties

Compound Name1,3-di(carbazol-9-yl)-6-phenyldibenzofuran-4-carbonitrile
PubChem CID155131599
Molecular FormulaC43H25N3O
Molecular Weight599.69 g/mol
Exact Mass599.20
IUPAC Name1,3-di(carbazol-9-yl)-6-phenyldibenzofuran-4-carbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c2c1oc1c(-c3ccccc3)cccc12
InChIInChI=1S/C43H25N3O/c44-26-34-39(45-35-21-8-4-15-29(35)30-16-5-9-22-36(30)45)25-40(46-37-23-10-6-17-31(37)32-18-7-11-24-38(32)46)41-33-20-12-19-28(42(33)47-43(34)41)27-13-2-1-3-14-27/h1-25H
InChIKeyZGEBPQSQHMLXJS-UHFFFAOYSA-N
XLogP11.32
TPSA46.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.69
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-di(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-carbonitrile
CID 155131785
9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 147906665
2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 138653750
9-(9-dibenzofuran-4-yl-6-phenyldibenzofuran-4-yl)carbazole
CID 147826287
4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 132915570
N-(4-carbazol-9-ylphenyl)-N,10-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 167143326
N-[4-[6-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90125897
2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile
CID 155079829
9-(2-carbazol-9-yl-1-isocyano-6-phenyldibenzofuran-3-yl)carbazole
CID 155617209
2,4-bis(3,6-ditert-butylcarbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
CID 155139809
9-(8-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 147134992
9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 149059833

Frequently Asked Questions

What is the IUPAC name of 1,3-di(carbazol-9-yl)-6-phenyldibenzofuran-4-carbonitrile?
The IUPAC name of 1,3-di(carbazol-9-yl)-6-phenyldibenzofuran-4-carbonitrile (CID 155131599) is 1,3-di(carbazol-9-yl)-6-phenyldibenzofuran-4-carbonitrile.
What is the SMILES notation for 1,3-di(carbazol-9-yl)-6-phenyldibenzofuran-4-carbonitrile?
The canonical SMILES for 1,3-di(carbazol-9-yl)-6-phenyldibenzofuran-4-carbonitrile is N#Cc1c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c2c1oc1c(-c3ccccc3)cccc12.
What is the InChIKey of 1,3-di(carbazol-9-yl)-6-phenyldibenzofuran-4-carbonitrile?
The InChIKey is ZGEBPQSQHMLXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3O/c44-26-34-39(45-35-21-8-4-15-29(35)30-16-5-9-22-36(30)45)25-40(46-37-23-10-6-17-31(37)32-18-7-11-24-38(32)46)41-33-20-12-19-28(42(33)47-43(34)41)27-13-2-1-3-14-27/h1-25H.
What are the key properties of 1,3-di(carbazol-9-yl)-6-phenyldibenzofuran-4-carbonitrile?
1,3-di(carbazol-9-yl)-6-phenyldibenzofuran-4-carbonitrile has a molecular weight of 599.69 g/mol, XLogP of 11.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(carbazol-9-yl)-6-phenyldibenzofuran-4-carbonitrile is sourced from PubChem (CID 155131599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).