2-[2-(6-phenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyridine

C41H25NS — CID 89369521

IUPAC2-[2-(6-phenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyridine
SMILESc1ccc(-c2cccc3c2sc2c(-c4ccccc4-c4ccc5c6ccccc6c6ccccc6c5n4)cccc23)cc1
InChIInChI=1S/C41H25NS/c1-2-12-26(13-3-1)27-20-10-22-36-37-23-11-21-35(41(37)43-40(27)36)31-17-6-8-18-32(31)38-25-24-34-30-16-5-4-14-28(30)29-15-7-9-19-33(29)39(34)42-38/h1-25H
InChIKeyZTIKKOPIUAUQDK-UHFFFAOYSA-N
MW563.73 g/mol
LogP11.91
Rot. Bonds3

About 2-[2-(6-phenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyridine

2-[2-(6-phenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyridine (PubChem CID 89369521) has the molecular formula C41H25NS and a molecular weight of 563.73 g/mol. Its IUPAC name is 2-[2-(6-phenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyridine.

Molecular Properties

Compound Name2-[2-(6-phenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyridine
PubChem CID89369521
Molecular FormulaC41H25NS
Molecular Weight563.73 g/mol
Exact Mass563.17
IUPAC Name2-[2-(6-phenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyridine
SMILESc1ccc(-c2cccc3c2sc2c(-c4ccccc4-c4ccc5c6ccccc6c6ccccc6c5n4)cccc23)cc1
InChIInChI=1S/C41H25NS/c1-2-12-26(13-3-1)27-20-10-22-36-37-23-11-21-35(41(37)43-40(27)36)31-17-6-8-18-32(31)38-25-24-34-30-16-5-4-14-28(30)29-15-7-9-19-33(29)39(34)42-38/h1-25H
InChIKeyZTIKKOPIUAUQDK-UHFFFAOYSA-N
XLogP11.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.73
LogP ≤ 511.91
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

2-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyridine
CID 89369500
2-[4-(6-methyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyridine
CID 89369516
2-[3-(6-methyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyridine
CID 89369498
3-[3,5-bis(6-phenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89475659
4-[2-(4-phenylphenyl)phenyl]-6-triphenylen-2-yldibenzothiophene
CID 118349952
2-[2-(2,6,8-trimethyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyridine
CID 89369504
2-(4-dibenzothiophen-4-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyridine
CID 89369534
3-[3-[4-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[4-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[4-[4-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[3-[4-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 158191248
10-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 122425736
2,4-diphenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 118650954
3-[3-[3-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063173
bis(2-(3-dibenzothiophen-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline);2-(3-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(2-dibenzothiophen-3-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-1,10-phenanthroline
CID 160863182

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-phenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyridine?
The IUPAC name of 2-[2-(6-phenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyridine (CID 89369521) is 2-[2-(6-phenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyridine.
What is the SMILES notation for 2-[2-(6-phenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyridine?
The canonical SMILES for 2-[2-(6-phenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyridine is c1ccc(-c2cccc3c2sc2c(-c4ccccc4-c4ccc5c6ccccc6c6ccccc6c5n4)cccc23)cc1.
What is the InChIKey of 2-[2-(6-phenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyridine?
The InChIKey is ZTIKKOPIUAUQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25NS/c1-2-12-26(13-3-1)27-20-10-22-36-37-23-11-21-35(41(37)43-40(27)36)31-17-6-8-18-32(31)38-25-24-34-30-16-5-4-14-28(30)29-15-7-9-19-33(29)39(34)42-38/h1-25H.
What are the key properties of 2-[2-(6-phenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyridine?
2-[2-(6-phenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyridine has a molecular weight of 563.73 g/mol, XLogP of 11.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-phenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyridine is sourced from PubChem (CID 89369521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).