8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile

C37H22N2O — CID 135136147

IUPAC8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile
SMILESN#Cc1ccc2oc3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc3c2c1
InChIInChI=1S/C37H22N2O/c38-23-24-11-17-36-32(19-24)33-22-28(14-18-37(33)40-36)27-13-16-35-31(21-27)30-20-26(25-7-3-1-4-8-25)12-15-34(30)39(35)29-9-5-2-6-10-29/h1-22H
InChIKeyBPEAVOASOCWPSL-UHFFFAOYSA-N
MW510.60 g/mol
LogP9.89
Rot. Bonds3

About 8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile

8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile (PubChem CID 135136147) has the molecular formula C37H22N2O and a molecular weight of 510.60 g/mol. Its IUPAC name is 8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile.

Molecular Properties

Compound Name8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile
PubChem CID135136147
Molecular FormulaC37H22N2O
Molecular Weight510.60 g/mol
Exact Mass510.17
IUPAC Name8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile
SMILESN#Cc1ccc2oc3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc3c2c1
InChIInChI=1S/C37H22N2O/c38-23-24-11-17-36-32(19-24)33-22-28(14-18-37(33)40-36)27-13-16-35-31(21-27)30-20-26(25-7-3-1-4-8-25)12-15-34(30)39(35)29-9-5-2-6-10-29/h1-22H
InChIKeyBPEAVOASOCWPSL-UHFFFAOYSA-N
XLogP9.89
TPSA41.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139303898
3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 118438947
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole-3-carbonitrile
CID 118152758
9-dibenzofuran-2-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile
CID 118152672
9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile
CID 134343534
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole-3-carbonitrile
CID 118152961
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470

Frequently Asked Questions

What is the IUPAC name of 8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile?
The IUPAC name of 8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile (CID 135136147) is 8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile.
What is the SMILES notation for 8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile?
The canonical SMILES for 8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile is N#Cc1ccc2oc3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc3c2c1.
What is the InChIKey of 8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile?
The InChIKey is BPEAVOASOCWPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N2O/c38-23-24-11-17-36-32(19-24)33-22-28(14-18-37(33)40-36)27-13-16-35-31(21-27)30-20-26(25-7-3-1-4-8-25)12-15-34(30)39(35)29-9-5-2-6-10-29/h1-22H.
What are the key properties of 8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile?
8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile has a molecular weight of 510.60 g/mol, XLogP of 9.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile is sourced from PubChem (CID 135136147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).