1-dibenzothiophen-4-yl-6-(3-phenylcarbazol-9-yl)dibenzofuran-4-carbonitrile

C43H24N2OS — CID 147581589

IUPAC1-dibenzothiophen-4-yl-6-(3-phenylcarbazol-9-yl)dibenzofuran-4-carbonitrile
SMILESN#Cc1ccc(-c2cccc3c2sc2ccccc23)c2c1oc1c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cccc12
InChIInChI=1S/C43H24N2OS/c44-25-28-20-22-31(33-15-8-14-32-30-13-5-7-19-39(30)47-43(32)33)40-34-16-9-18-38(42(34)46-41(28)40)45-36-17-6-4-12-29(36)35-24-27(21-23-37(35)45)26-10-2-1-3-11-26/h1-24H
InChIKeyFWNPBSITUOFELJ-UHFFFAOYSA-N
MW616.75 g/mol
LogP12.26
Rot. Bonds3

About 1-dibenzothiophen-4-yl-6-(3-phenylcarbazol-9-yl)dibenzofuran-4-carbonitrile

1-dibenzothiophen-4-yl-6-(3-phenylcarbazol-9-yl)dibenzofuran-4-carbonitrile (PubChem CID 147581589) has the molecular formula C43H24N2OS and a molecular weight of 616.75 g/mol. Its IUPAC name is 1-dibenzothiophen-4-yl-6-(3-phenylcarbazol-9-yl)dibenzofuran-4-carbonitrile.

Molecular Properties

Compound Name1-dibenzothiophen-4-yl-6-(3-phenylcarbazol-9-yl)dibenzofuran-4-carbonitrile
PubChem CID147581589
Molecular FormulaC43H24N2OS
Molecular Weight616.75 g/mol
Exact Mass616.16
IUPAC Name1-dibenzothiophen-4-yl-6-(3-phenylcarbazol-9-yl)dibenzofuran-4-carbonitrile
SMILESN#Cc1ccc(-c2cccc3c2sc2ccccc23)c2c1oc1c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cccc12
InChIInChI=1S/C43H24N2OS/c44-25-28-20-22-31(33-15-8-14-32-30-13-5-7-19-39(30)47-43(32)33)40-34-16-9-18-38(42(34)46-41(28)40)45-36-17-6-4-12-29(36)35-24-27(21-23-37(35)45)26-10-2-1-3-11-26/h1-24H
InChIKeyFWNPBSITUOFELJ-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

6-carbazol-9-yl-1-dibenzothiophen-2-yldibenzofuran-4-carbonitrile
CID 147072879
2-dibenzothiophen-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzothiophene-4-carbonitrile
CID 148734758
9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole
CID 163656757
9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 147349483
6-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophene-4-carbonitrile
CID 90194308
9-(8-dibenzothiophen-1-yl-6-phenyldibenzofuran-4-yl)-3-phenylcarbazole;9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)-3-phenylcarbazole;9-(8-dibenzothiophen-3-yl-6-phenyldibenzofuran-4-yl)-3-phenylcarbazole;9-(8-dibenzothiophen-4-yl-6-phenyldibenzofuran-4-yl)-3-phenylcarbazole
CID 157074673
9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-phenylcarbazole
CID 161330058
9-(9-dibenzothiophen-1-yldibenzofuran-4-yl)carbazole-2-carbonitrile;9-(9-dibenzothiophen-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile;9-(9-dibenzothiophen-3-yldibenzofuran-4-yl)carbazole-2-carbonitrile;9-(9-dibenzothiophen-4-yldibenzofuran-4-yl)-3,6-dimethylcarbazole
CID 160666840
3-(6-carbazol-9-yl-8-phenyldibenzofuran-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 155379459
6-carbazol-9-yl-2-dibenzothiophen-3-yldibenzofuran-4-carbonitrile
CID 149287115
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
1,2-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-4-carbonitrile
CID 155131504

Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-4-yl-6-(3-phenylcarbazol-9-yl)dibenzofuran-4-carbonitrile?
The IUPAC name of 1-dibenzothiophen-4-yl-6-(3-phenylcarbazol-9-yl)dibenzofuran-4-carbonitrile (CID 147581589) is 1-dibenzothiophen-4-yl-6-(3-phenylcarbazol-9-yl)dibenzofuran-4-carbonitrile.
What is the SMILES notation for 1-dibenzothiophen-4-yl-6-(3-phenylcarbazol-9-yl)dibenzofuran-4-carbonitrile?
The canonical SMILES for 1-dibenzothiophen-4-yl-6-(3-phenylcarbazol-9-yl)dibenzofuran-4-carbonitrile is N#Cc1ccc(-c2cccc3c2sc2ccccc23)c2c1oc1c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cccc12.
What is the InChIKey of 1-dibenzothiophen-4-yl-6-(3-phenylcarbazol-9-yl)dibenzofuran-4-carbonitrile?
The InChIKey is FWNPBSITUOFELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N2OS/c44-25-28-20-22-31(33-15-8-14-32-30-13-5-7-19-39(30)47-43(32)33)40-34-16-9-18-38(42(34)46-41(28)40)45-36-17-6-4-12-29(36)35-24-27(21-23-37(35)45)26-10-2-1-3-11-26/h1-24H.
What are the key properties of 1-dibenzothiophen-4-yl-6-(3-phenylcarbazol-9-yl)dibenzofuran-4-carbonitrile?
1-dibenzothiophen-4-yl-6-(3-phenylcarbazol-9-yl)dibenzofuran-4-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 1-dibenzothiophen-4-yl-6-(3-phenylcarbazol-9-yl)dibenzofuran-4-carbonitrile is sourced from PubChem (CID 147581589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).