10-(6-phenyldibenzothiophen-4-yl)benzo[h]quinoline

C31H19NS — CID 146300857

IUPAC10-(6-phenyldibenzothiophen-4-yl)benzo[h]quinoline
SMILESc1ccc(-c2cccc3c2sc2c(-c4cccc5ccc6cccnc6c45)cccc23)cc1
InChIInChI=1S/C31H19NS/c1-2-8-20(9-3-1)23-12-5-15-26-27-16-6-14-25(31(27)33-30(23)26)24-13-4-10-21-17-18-22-11-7-19-32-29(22)28(21)24/h1-19H
InChIKeyQPBXHFQKSQYMKH-UHFFFAOYSA-N
MW437.57 g/mol
LogP9.09
Rot. Bonds2

About 10-(6-phenyldibenzothiophen-4-yl)benzo[h]quinoline

10-(6-phenyldibenzothiophen-4-yl)benzo[h]quinoline (PubChem CID 146300857) has the molecular formula C31H19NS and a molecular weight of 437.57 g/mol. Its IUPAC name is 10-(6-phenyldibenzothiophen-4-yl)benzo[h]quinoline.

Molecular Properties

Compound Name10-(6-phenyldibenzothiophen-4-yl)benzo[h]quinoline
PubChem CID146300857
Molecular FormulaC31H19NS
Molecular Weight437.57 g/mol
Exact Mass437.12
IUPAC Name10-(6-phenyldibenzothiophen-4-yl)benzo[h]quinoline
SMILESc1ccc(-c2cccc3c2sc2c(-c4cccc5ccc6cccnc6c45)cccc23)cc1
InChIInChI=1S/C31H19NS/c1-2-8-20(9-3-1)23-12-5-15-26-27-16-6-14-25(31(27)33-30(23)26)24-13-4-10-21-17-18-22-11-7-19-32-29(22)28(21)24/h1-19H
InChIKeyQPBXHFQKSQYMKH-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_3', 'substructure': 'N/A'}

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Related Compounds

10-(6-benzo[h]quinolin-10-yl-2,8-diphenyldibenzothiophen-4-yl)benzo[h]quinoline
CID 146300783
10-phenyl-5-(10-phenylbenzo[h]quinolin-5-yl)benzo[h]quinoline
CID 20606784
2,4-bis(4-phenylphenyl)-6-[4-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-1,3,5-triazine
CID 139447186
mercury;8-phenylquinoline;hydrate
CID 174770535
2-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline
CID 154954930
15-phenyl-17-thia-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 168721207
10-(8-bromo-1-phenyldibenzothiophen-2-yl)benzo[h]quinoline
CID 146300818
2-[2-(6-phenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyridine
CID 89369521
1-benzo[h]quinolin-10-ylnaphthalen-2-ol
CID 166447439
4,20-di(dibenzothiophen-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene
CID 137294981
8-[4-[4-(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]quinoline
CID 130263319
7-(3,5-diphenylphenyl)benzo[h]quinoline
CID 140719025

Frequently Asked Questions

What is the IUPAC name of 10-(6-phenyldibenzothiophen-4-yl)benzo[h]quinoline?
The IUPAC name of 10-(6-phenyldibenzothiophen-4-yl)benzo[h]quinoline (CID 146300857) is 10-(6-phenyldibenzothiophen-4-yl)benzo[h]quinoline.
What is the SMILES notation for 10-(6-phenyldibenzothiophen-4-yl)benzo[h]quinoline?
The canonical SMILES for 10-(6-phenyldibenzothiophen-4-yl)benzo[h]quinoline is c1ccc(-c2cccc3c2sc2c(-c4cccc5ccc6cccnc6c45)cccc23)cc1.
What is the InChIKey of 10-(6-phenyldibenzothiophen-4-yl)benzo[h]quinoline?
The InChIKey is QPBXHFQKSQYMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19NS/c1-2-8-20(9-3-1)23-12-5-15-26-27-16-6-14-25(31(27)33-30(23)26)24-13-4-10-21-17-18-22-11-7-19-32-29(22)28(21)24/h1-19H.
What are the key properties of 10-(6-phenyldibenzothiophen-4-yl)benzo[h]quinoline?
10-(6-phenyldibenzothiophen-4-yl)benzo[h]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 10-(6-phenyldibenzothiophen-4-yl)benzo[h]quinoline is sourced from PubChem (CID 146300857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).