5-dibenzothiophen-4-yl-10-phenylbenzo[g]quinoline

C31H19NS — CID 59183677

IUPAC5-dibenzothiophen-4-yl-10-phenylbenzo[g]quinoline
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4c3sc3ccccc34)c3cccnc23)cc1
InChIInChI=1S/C31H19NS/c1-2-10-20(11-3-1)28-22-13-4-5-14-23(22)29(25-17-9-19-32-30(25)28)26-16-8-15-24-21-12-6-7-18-27(21)33-31(24)26/h1-19H
InChIKeyCIIFNYRWDKTFQJ-UHFFFAOYSA-N
MW437.57 g/mol
LogP9.09
Rot. Bonds2

About 5-dibenzothiophen-4-yl-10-phenylbenzo[g]quinoline

5-dibenzothiophen-4-yl-10-phenylbenzo[g]quinoline (PubChem CID 59183677) has the molecular formula C31H19NS and a molecular weight of 437.57 g/mol. Its IUPAC name is 5-dibenzothiophen-4-yl-10-phenylbenzo[g]quinoline.

Molecular Properties

Compound Name5-dibenzothiophen-4-yl-10-phenylbenzo[g]quinoline
PubChem CID59183677
Molecular FormulaC31H19NS
Molecular Weight437.57 g/mol
Exact Mass437.12
IUPAC Name5-dibenzothiophen-4-yl-10-phenylbenzo[g]quinoline
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4c3sc3ccccc34)c3cccnc23)cc1
InChIInChI=1S/C31H19NS/c1-2-10-20(11-3-1)28-22-13-4-5-14-23(22)29(25-17-9-19-32-30(25)28)26-16-8-15-24-21-12-6-7-18-27(21)33-31(24)26/h1-19H
InChIKeyCIIFNYRWDKTFQJ-UHFFFAOYSA-N
XLogP9.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.57
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

10-phenyl-5-(2-phenylphenyl)benzo[g]quinoline
CID 59183732
4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene
CID 58323249
4-(9,10-diphenylanthracen-1-yl)dibenzothiophene
CID 58323324
2-(10-dibenzothiophen-4-ylanthracen-9-yl)-7-phenylbenzo[b][1,10]phenanthroline
CID 139446030
10-phenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]benzo[g]quinoline
CID 59184028
10-phenyl-5-[3-(10-phenylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinoline
CID 59183400
2-dibenzothiophen-4-yl-4-(2-dibenzothiophen-4-yl-3-pyridinyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163566700
4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene
CID 155333209
2-dibenzothiophen-4-yl-4-phenyl-6-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 155763933
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-1,3,5-triazine
CID 170939935
3,8-bis(4-dibenzothiophen-4-ylphenyl)-2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline
CID 123920979

Frequently Asked Questions

What is the IUPAC name of 5-dibenzothiophen-4-yl-10-phenylbenzo[g]quinoline?
The IUPAC name of 5-dibenzothiophen-4-yl-10-phenylbenzo[g]quinoline (CID 59183677) is 5-dibenzothiophen-4-yl-10-phenylbenzo[g]quinoline.
What is the SMILES notation for 5-dibenzothiophen-4-yl-10-phenylbenzo[g]quinoline?
The canonical SMILES for 5-dibenzothiophen-4-yl-10-phenylbenzo[g]quinoline is c1ccc(-c2c3ccccc3c(-c3cccc4c3sc3ccccc34)c3cccnc23)cc1.
What is the InChIKey of 5-dibenzothiophen-4-yl-10-phenylbenzo[g]quinoline?
The InChIKey is CIIFNYRWDKTFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19NS/c1-2-10-20(11-3-1)28-22-13-4-5-14-23(22)29(25-17-9-19-32-30(25)28)26-16-8-15-24-21-12-6-7-18-27(21)33-31(24)26/h1-19H.
What are the key properties of 5-dibenzothiophen-4-yl-10-phenylbenzo[g]quinoline?
5-dibenzothiophen-4-yl-10-phenylbenzo[g]quinoline has a molecular weight of 437.57 g/mol, XLogP of 9.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzothiophen-4-yl-10-phenylbenzo[g]quinoline is sourced from PubChem (CID 59183677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).