3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile

C31H18N2O — CID 122575991

IUPAC3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile
SMILESN#Cc1cccc(-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)c1
InChIInChI=1S/C31H18N2O/c32-19-20-6-5-7-21(16-20)22-12-14-30-26(17-22)27-18-23(13-15-31(27)34-30)33-28-10-3-1-8-24(28)25-9-2-4-11-29(25)33/h1-18H
InChIKeyZARMGQHVCKVYFE-UHFFFAOYSA-N
MW434.50 g/mol
LogP8.22
Rot. Bonds2

About 3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile

3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile (PubChem CID 122575991) has the molecular formula C31H18N2O and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile.

Molecular Properties

Compound Name3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile
PubChem CID122575991
Molecular FormulaC31H18N2O
Molecular Weight434.50 g/mol
Exact Mass434.14
IUPAC Name3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile
SMILESN#Cc1cccc(-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)c1
InChIInChI=1S/C31H18N2O/c32-19-20-6-5-7-21(16-20)22-12-14-30-26(17-22)27-18-23(13-15-31(27)34-30)33-28-10-3-1-8-24(28)25-9-2-4-11-29(25)33/h1-18H
InChIKeyZARMGQHVCKVYFE-UHFFFAOYSA-N
XLogP8.22
TPSA41.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile
CID 118396690
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]dibenzofuran-2-yl]carbazole
CID 158645763
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139303898
3-[2-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)phenyl]benzonitrile
CID 126610434
9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755
5-[8-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]dibenzofuran-2-yl]benzene-1,3-dicarbonitrile
CID 122575941
9-[16-(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147197
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
2,5-bis(8-carbazol-9-yldibenzofuran-2-yl)-3,6-diphenylbenzene-1,4-dicarbonitrile
CID 146580324
3-carbazol-9-yl-6-[8-[3-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 148847912

Frequently Asked Questions

What is the IUPAC name of 3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile?
The IUPAC name of 3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile (CID 122575991) is 3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile.
What is the SMILES notation for 3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile?
The canonical SMILES for 3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile is N#Cc1cccc(-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)c1.
What is the InChIKey of 3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile?
The InChIKey is ZARMGQHVCKVYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18N2O/c32-19-20-6-5-7-21(16-20)22-12-14-30-26(17-22)27-18-23(13-15-31(27)34-30)33-28-10-3-1-8-24(28)25-9-2-4-11-29(25)33/h1-18H.
What are the key properties of 3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile?
3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile has a molecular weight of 434.50 g/mol, XLogP of 8.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile is sourced from PubChem (CID 122575991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).