9-dibenzothiophen-2-yl-3-ethenyl-6-(3-triphenylen-2-ylphenyl)carbazole

C50H31NS — CID 139518027

IUPAC9-dibenzothiophen-2-yl-3-ethenyl-6-(3-triphenylen-2-ylphenyl)carbazole
SMILESC=Cc1ccc2c(c1)c1cc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)ccc1n2-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C50H31NS/c1-2-31-18-23-47-44(26-31)45-29-35(20-24-48(45)51(47)36-21-25-50-46(30-36)42-16-7-8-17-49(42)52-50)33-11-9-10-32(27-33)34-19-22-41-39-14-4-3-12-37(39)38-13-5-6-15-40(38)43(41)28-34/h2-30H,1H2
InChIKeyDVJWTBUOMYOLFE-UHFFFAOYSA-N
MW677.87 g/mol
LogP14.59
Rot. Bonds4

About 9-dibenzothiophen-2-yl-3-ethenyl-6-(3-triphenylen-2-ylphenyl)carbazole

9-dibenzothiophen-2-yl-3-ethenyl-6-(3-triphenylen-2-ylphenyl)carbazole (PubChem CID 139518027) has the molecular formula C50H31NS and a molecular weight of 677.87 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-3-ethenyl-6-(3-triphenylen-2-ylphenyl)carbazole.

Molecular Properties

Compound Name9-dibenzothiophen-2-yl-3-ethenyl-6-(3-triphenylen-2-ylphenyl)carbazole
PubChem CID139518027
Molecular FormulaC50H31NS
Molecular Weight677.87 g/mol
Exact Mass677.22
IUPAC Name9-dibenzothiophen-2-yl-3-ethenyl-6-(3-triphenylen-2-ylphenyl)carbazole
SMILESC=Cc1ccc2c(c1)c1cc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)ccc1n2-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C50H31NS/c1-2-31-18-23-47-44(26-31)45-29-35(20-24-48(45)51(47)36-21-25-50-46(30-36)42-16-7-8-17-49(42)52-50)33-11-9-10-32(27-33)34-19-22-41-39-14-4-3-12-37(39)38-13-5-6-15-40(38)43(41)28-34/h2-30H,1H2
InChIKeyDVJWTBUOMYOLFE-UHFFFAOYSA-N
XLogP14.59
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.87
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-[(Z)-2-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)ethenyl]-6,9-diphenylcarbazole
CID 89402541
3-ethenyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 139517794
3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 163777436
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
CID 144619443
CID 144619443
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
N-[4-[6-(4-dibenzothiophen-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 89492158
3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole
CID 122472183
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158633685
3-dibenzothiophen-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole
CID 90211436

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-3-ethenyl-6-(3-triphenylen-2-ylphenyl)carbazole?
The IUPAC name of 9-dibenzothiophen-2-yl-3-ethenyl-6-(3-triphenylen-2-ylphenyl)carbazole (CID 139518027) is 9-dibenzothiophen-2-yl-3-ethenyl-6-(3-triphenylen-2-ylphenyl)carbazole.
What is the SMILES notation for 9-dibenzothiophen-2-yl-3-ethenyl-6-(3-triphenylen-2-ylphenyl)carbazole?
The canonical SMILES for 9-dibenzothiophen-2-yl-3-ethenyl-6-(3-triphenylen-2-ylphenyl)carbazole is C=Cc1ccc2c(c1)c1cc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)ccc1n2-c1ccc2sc3ccccc3c2c1.
What is the InChIKey of 9-dibenzothiophen-2-yl-3-ethenyl-6-(3-triphenylen-2-ylphenyl)carbazole?
The InChIKey is DVJWTBUOMYOLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NS/c1-2-31-18-23-47-44(26-31)45-29-35(20-24-48(45)51(47)36-21-25-50-46(30-36)42-16-7-8-17-49(42)52-50)33-11-9-10-32(27-33)34-19-22-41-39-14-4-3-12-37(39)38-13-5-6-15-40(38)43(41)28-34/h2-30H,1H2.
What are the key properties of 9-dibenzothiophen-2-yl-3-ethenyl-6-(3-triphenylen-2-ylphenyl)carbazole?
9-dibenzothiophen-2-yl-3-ethenyl-6-(3-triphenylen-2-ylphenyl)carbazole has a molecular weight of 677.87 g/mol, XLogP of 14.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-2-yl-3-ethenyl-6-(3-triphenylen-2-ylphenyl)carbazole is sourced from PubChem (CID 139518027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).