2-[4-[2-[3,5-bis(2-phenylphenyl)phenyl]phenyl]phenyl]-4-dibenzothiophen-3-ylpyridine

C59H39NS — CID 167362982

IUPAC2-[4-[2-[3,5-bis(2-phenylphenyl)phenyl]phenyl]phenyl]-4-dibenzothiophen-3-ylpyridine
SMILESc1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccccc3)cc(-c3ccccc3-c3ccc(-c4cc(-c5ccc6c(c5)sc5ccccc56)ccn4)cc3)c2)cc1
InChIInChI=1S/C59H39NS/c1-3-15-40(16-4-1)49-19-7-10-22-52(49)46-35-47(53-23-11-8-20-50(53)41-17-5-2-6-18-41)37-48(36-46)54-24-12-9-21-51(54)42-27-29-43(30-28-42)57-38-45(33-34-60-57)44-31-32-56-55-25-13-14-26-58(55)61-59(56)39-44/h1-39H
InChIKeyWBZSFMUBPAUVRN-UHFFFAOYSA-N
MW794.04 g/mol
LogP16.79
Rot. Bonds8

About 2-[4-[2-[3,5-bis(2-phenylphenyl)phenyl]phenyl]phenyl]-4-dibenzothiophen-3-ylpyridine

2-[4-[2-[3,5-bis(2-phenylphenyl)phenyl]phenyl]phenyl]-4-dibenzothiophen-3-ylpyridine (PubChem CID 167362982) has the molecular formula C59H39NS and a molecular weight of 794.04 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis(2-phenylphenyl)phenyl]phenyl]phenyl]-4-dibenzothiophen-3-ylpyridine.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis(2-phenylphenyl)phenyl]phenyl]phenyl]-4-dibenzothiophen-3-ylpyridine
PubChem CID167362982
Molecular FormulaC59H39NS
Molecular Weight794.04 g/mol
Exact Mass793.28
IUPAC Name2-[4-[2-[3,5-bis(2-phenylphenyl)phenyl]phenyl]phenyl]-4-dibenzothiophen-3-ylpyridine
SMILESc1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccccc3)cc(-c3ccccc3-c3ccc(-c4cc(-c5ccc6c(c5)sc5ccccc56)ccn4)cc3)c2)cc1
InChIInChI=1S/C59H39NS/c1-3-15-40(16-4-1)49-19-7-10-22-52(49)46-35-47(53-23-11-8-20-50(53)41-17-5-2-6-18-41)37-48(36-46)54-24-12-9-21-51(54)42-27-29-43(30-28-42)57-38-45(33-34-60-57)44-31-32-56-55-25-13-14-26-58(55)61-59(56)39-44/h1-39H
InChIKeyWBZSFMUBPAUVRN-UHFFFAOYSA-N
XLogP16.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.04
LogP ≤ 516.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine
CID 166574154
4-[3-dibenzothiophen-3-yl-5-(4-phenylnaphthalen-1-yl)phenyl]-2,6-diphenylpyrimidine
CID 171584218
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171585066
4-[3-dibenzothiophen-3-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171584456
4-(3-phenylphenyl)-2-[4-[2-[3-[2-[4-[4-(3-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434672
2-(3-dibenzothiophen-3-ylphenyl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942654
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171583030
4-dibenzothiophen-3-yl-2-iodo-6-(2-phenylphenyl)pyrimidine
CID 166850989
2-[4-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942425
2-[4-dibenzothiophen-3-yl-6-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4,6-diphenylpyrimidine
CID 153316115
2-phenyl-4-triphenylen-2-ylpyridine
CID 168743611
4-(4-dibenzothiophen-2-ylphenyl)-2-[4-[4-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-2-pyridinyl]phenyl]-6-phenylpyrimidine
CID 130270435

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis(2-phenylphenyl)phenyl]phenyl]phenyl]-4-dibenzothiophen-3-ylpyridine?
The IUPAC name of 2-[4-[2-[3,5-bis(2-phenylphenyl)phenyl]phenyl]phenyl]-4-dibenzothiophen-3-ylpyridine (CID 167362982) is 2-[4-[2-[3,5-bis(2-phenylphenyl)phenyl]phenyl]phenyl]-4-dibenzothiophen-3-ylpyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis(2-phenylphenyl)phenyl]phenyl]phenyl]-4-dibenzothiophen-3-ylpyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis(2-phenylphenyl)phenyl]phenyl]phenyl]-4-dibenzothiophen-3-ylpyridine is c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccccc3)cc(-c3ccccc3-c3ccc(-c4cc(-c5ccc6c(c5)sc5ccccc56)ccn4)cc3)c2)cc1.
What is the InChIKey of 2-[4-[2-[3,5-bis(2-phenylphenyl)phenyl]phenyl]phenyl]-4-dibenzothiophen-3-ylpyridine?
The InChIKey is WBZSFMUBPAUVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39NS/c1-3-15-40(16-4-1)49-19-7-10-22-52(49)46-35-47(53-23-11-8-20-50(53)41-17-5-2-6-18-41)37-48(36-46)54-24-12-9-21-51(54)42-27-29-43(30-28-42)57-38-45(33-34-60-57)44-31-32-56-55-25-13-14-26-58(55)61-59(56)39-44/h1-39H.
What are the key properties of 2-[4-[2-[3,5-bis(2-phenylphenyl)phenyl]phenyl]phenyl]-4-dibenzothiophen-3-ylpyridine?
2-[4-[2-[3,5-bis(2-phenylphenyl)phenyl]phenyl]phenyl]-4-dibenzothiophen-3-ylpyridine has a molecular weight of 794.04 g/mol, XLogP of 16.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-bis(2-phenylphenyl)phenyl]phenyl]phenyl]-4-dibenzothiophen-3-ylpyridine is sourced from PubChem (CID 167362982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).