7-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine

C53H33NS — CID 177115829

IUPAC7-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine
SMILESc1cc(-c2cccc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)c2)cc(-c2cccc(-c3ccc4c5ccncc5c5ccccc5c4c3)c2)c1
InChIInChI=1S/C53H33NS/c1-2-19-45-44(18-1)50-32-41(24-25-46(50)47-26-27-54-33-51(45)47)39-15-7-13-37(30-39)35-11-5-10-34(28-35)36-12-6-14-38(29-36)40-16-8-17-42(31-40)43-21-9-22-49-48-20-3-4-23-52(48)55-53(43)49/h1-33H
InChIKeyURNGTQUAZIDMBQ-UHFFFAOYSA-N
MW715.92 g/mol
LogP15.24
Rot. Bonds5

About 7-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine

7-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine (PubChem CID 177115829) has the molecular formula C53H33NS and a molecular weight of 715.92 g/mol. Its IUPAC name is 7-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine.

Molecular Properties

Compound Name7-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine
PubChem CID177115829
Molecular FormulaC53H33NS
Molecular Weight715.92 g/mol
Exact Mass715.23
IUPAC Name7-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine
SMILESc1cc(-c2cccc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)c2)cc(-c2cccc(-c3ccc4c5ccncc5c5ccccc5c4c3)c2)c1
InChIInChI=1S/C53H33NS/c1-2-19-45-44(18-1)50-32-41(24-25-46(50)47-26-27-54-33-51(45)47)39-15-7-13-37(30-39)35-11-5-10-34(28-35)36-12-6-14-38(29-36)40-16-8-17-42(31-40)43-21-9-22-49-48-20-3-4-23-52(48)55-53(43)49/h1-33H
InChIKeyURNGTQUAZIDMBQ-UHFFFAOYSA-N
XLogP15.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.92
LogP ≤ 515.24
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

8-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine
CID 177115919
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
2-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene
CID 155401257
3-(4-triphenylen-2-yldibenzothiophen-2-yl)-6-(3-triphenylen-2-ylphenyl)dibenzothiophene
CID 134492219
2-dibenzothiophen-4-yl-8-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridine
CID 122677137
10-[4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063275
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922
CID 159617411
CID 159617411
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene
CID 134507763
N-[4-[4-[3-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121295285

Frequently Asked Questions

What is the IUPAC name of 7-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine?
The IUPAC name of 7-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine (CID 177115829) is 7-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine.
What is the SMILES notation for 7-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine?
The canonical SMILES for 7-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine is c1cc(-c2cccc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)c2)cc(-c2cccc(-c3ccc4c5ccncc5c5ccccc5c4c3)c2)c1.
What is the InChIKey of 7-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine?
The InChIKey is URNGTQUAZIDMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33NS/c1-2-19-45-44(18-1)50-32-41(24-25-46(50)47-26-27-54-33-51(45)47)39-15-7-13-37(30-39)35-11-5-10-34(28-35)36-12-6-14-38(29-36)40-16-8-17-42(31-40)43-21-9-22-49-48-20-3-4-23-52(48)55-53(43)49/h1-33H.
What are the key properties of 7-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine?
7-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine has a molecular weight of 715.92 g/mol, XLogP of 15.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine is sourced from PubChem (CID 177115829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).