9-dibenzothiophen-1-yl-3-[10-(3-phenylphenyl)phenanthren-3-yl]carbazole

C50H31NS — CID 167289270

IUPAC9-dibenzothiophen-1-yl-3-[10-(3-phenylphenyl)phenanthren-3-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cc4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6sc7ccccc7c56)ccc34)c2)cc1
InChIInChI=1S/C50H31NS/c1-2-12-32(13-3-1)33-15-10-16-36(28-33)42-31-37-14-4-5-17-38(37)43-29-34(24-26-39(42)43)35-25-27-46-44(30-35)40-18-6-8-20-45(40)51(46)47-21-11-23-49-50(47)41-19-7-9-22-48(41)52-49/h1-31H
InChIKeyZCTWBRYGXCRCBY-UHFFFAOYSA-N
MW677.87 g/mol
LogP14.46
Rot. Bonds4

About 9-dibenzothiophen-1-yl-3-[10-(3-phenylphenyl)phenanthren-3-yl]carbazole

9-dibenzothiophen-1-yl-3-[10-(3-phenylphenyl)phenanthren-3-yl]carbazole (PubChem CID 167289270) has the molecular formula C50H31NS and a molecular weight of 677.87 g/mol. Its IUPAC name is 9-dibenzothiophen-1-yl-3-[10-(3-phenylphenyl)phenanthren-3-yl]carbazole.

Molecular Properties

Compound Name9-dibenzothiophen-1-yl-3-[10-(3-phenylphenyl)phenanthren-3-yl]carbazole
PubChem CID167289270
Molecular FormulaC50H31NS
Molecular Weight677.87 g/mol
Exact Mass677.22
IUPAC Name9-dibenzothiophen-1-yl-3-[10-(3-phenylphenyl)phenanthren-3-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cc4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6sc7ccccc7c56)ccc34)c2)cc1
InChIInChI=1S/C50H31NS/c1-2-12-32(13-3-1)33-15-10-16-36(28-33)42-31-37-14-4-5-17-38(37)43-29-34(24-26-39(42)43)35-25-27-46-44(30-35)40-18-6-8-20-45(40)51(46)47-21-11-23-49-50(47)41-19-7-9-22-48(41)52-49/h1-31H
InChIKeyZCTWBRYGXCRCBY-UHFFFAOYSA-N
XLogP14.46
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 ≤ 514.46
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-(3-anthracen-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90310025
9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
CID 166037348
9-(9-phenyldibenzothiophen-1-yl)-3-[10-(2-phenylphenyl)phenanthren-3-yl]carbazole
CID 174244757
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenanthren-1-ylcarbazole
CID 163630750
9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole
CID 170278932
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole
CID 165095044
2-(9-dibenzothiophen-1-yl-7-phenylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
CID 167243474
8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole
CID 167243638
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 118086520

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-1-yl-3-[10-(3-phenylphenyl)phenanthren-3-yl]carbazole?
The IUPAC name of 9-dibenzothiophen-1-yl-3-[10-(3-phenylphenyl)phenanthren-3-yl]carbazole (CID 167289270) is 9-dibenzothiophen-1-yl-3-[10-(3-phenylphenyl)phenanthren-3-yl]carbazole.
What is the SMILES notation for 9-dibenzothiophen-1-yl-3-[10-(3-phenylphenyl)phenanthren-3-yl]carbazole?
The canonical SMILES for 9-dibenzothiophen-1-yl-3-[10-(3-phenylphenyl)phenanthren-3-yl]carbazole is c1ccc(-c2cccc(-c3cc4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6sc7ccccc7c56)ccc34)c2)cc1.
What is the InChIKey of 9-dibenzothiophen-1-yl-3-[10-(3-phenylphenyl)phenanthren-3-yl]carbazole?
The InChIKey is ZCTWBRYGXCRCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NS/c1-2-12-32(13-3-1)33-15-10-16-36(28-33)42-31-37-14-4-5-17-38(37)43-29-34(24-26-39(42)43)35-25-27-46-44(30-35)40-18-6-8-20-45(40)51(46)47-21-11-23-49-50(47)41-19-7-9-22-48(41)52-49/h1-31H.
What are the key properties of 9-dibenzothiophen-1-yl-3-[10-(3-phenylphenyl)phenanthren-3-yl]carbazole?
9-dibenzothiophen-1-yl-3-[10-(3-phenylphenyl)phenanthren-3-yl]carbazole has a molecular weight of 677.87 g/mol, XLogP of 14.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-1-yl-3-[10-(3-phenylphenyl)phenanthren-3-yl]carbazole is sourced from PubChem (CID 167289270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).