9-(9-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-2-carbonitrile

C43H24N2OS — CID 147486433

IUPAC9-(9-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3cccc4c3sc3c(-c5ccccc5)ccc(-c5ccc6oc7ccccc7c6c5)c34)c2c1
InChIInChI=1S/C43H24N2OS/c44-25-26-17-19-32-31-11-4-6-14-36(31)45(38(32)23-26)37-15-8-13-34-41-29(20-21-30(43(41)47-42(34)37)27-9-2-1-3-10-27)28-18-22-40-35(24-28)33-12-5-7-16-39(33)46-40/h1-24H
InChIKeyFERCYADVXDKOSC-UHFFFAOYSA-N
MW616.75 g/mol
LogP12.26
Rot. Bonds3

About 9-(9-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-2-carbonitrile

9-(9-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-2-carbonitrile (PubChem CID 147486433) has the molecular formula C43H24N2OS and a molecular weight of 616.75 g/mol. Its IUPAC name is 9-(9-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-(9-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-2-carbonitrile
PubChem CID147486433
Molecular FormulaC43H24N2OS
Molecular Weight616.75 g/mol
Exact Mass616.16
IUPAC Name9-(9-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3cccc4c3sc3c(-c5ccccc5)ccc(-c5ccc6oc7ccccc7c6c5)c34)c2c1
InChIInChI=1S/C43H24N2OS/c44-25-26-17-19-32-31-11-4-6-14-36(31)45(38(32)23-26)37-15-8-13-34-41-29(20-21-30(43(41)47-42(34)37)27-9-2-1-3-10-27)28-18-22-40-35(24-28)33-12-5-7-16-39(33)46-40/h1-24H
InChIKeyFERCYADVXDKOSC-UHFFFAOYSA-N
XLogP12.26
TPSA41.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.75
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 149138143
9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 149059833
9-(8-dibenzofuran-1-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(8-dibenzofuran-2-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(8-dibenzofuran-3-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzofuran-4-yldibenzothiophen-4-yl)-2-phenylcarbazole
CID 158620921
9-(8-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)-2-phenylcarbazole
CID 147837275
9-(8-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 147134992
9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile
CID 153168563
9-(6-cyano-8-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 149228973
4-([1]benzofuro[3,2-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile
CID 126577754
6-[4-(1-cyanocarbazol-9-yl)-3-dibenzofuran-2-ylphenyl]-9-(2-dibenzofuran-2-ylphenyl)carbazole-2-carbonitrile
CID 167006192
12-[6-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-[1]benzothiolo[2,3-a]carbazole
CID 156574969
18-(2-carbazol-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-6-carbonitrile
CID 126582417
2-[8-(2-carbazol-9-ylphenyl)dibenzothiophen-2-yl]benzonitrile;9-(2-dibenzofuran-2-ylphenyl)carbazole-4-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-1-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-2-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-4-carbonitrile
CID 159772841

Frequently Asked Questions

What is the IUPAC name of 9-(9-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-2-carbonitrile?
The IUPAC name of 9-(9-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-2-carbonitrile (CID 147486433) is 9-(9-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-2-carbonitrile.
What is the SMILES notation for 9-(9-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-2-carbonitrile?
The canonical SMILES for 9-(9-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-2-carbonitrile is N#Cc1ccc2c3ccccc3n(-c3cccc4c3sc3c(-c5ccccc5)ccc(-c5ccc6oc7ccccc7c6c5)c34)c2c1.
What is the InChIKey of 9-(9-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-2-carbonitrile?
The InChIKey is FERCYADVXDKOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N2OS/c44-25-26-17-19-32-31-11-4-6-14-36(31)45(38(32)23-26)37-15-8-13-34-41-29(20-21-30(43(41)47-42(34)37)27-9-2-1-3-10-27)28-18-22-40-35(24-28)33-12-5-7-16-39(33)46-40/h1-24H.
What are the key properties of 9-(9-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-2-carbonitrile?
9-(9-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-2-carbonitrile has a molecular weight of 616.75 g/mol, XLogP of 12.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-2-carbonitrile is sourced from PubChem (CID 147486433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).