5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine

C70H49N3 — CID 122487855

IUPAC5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine
SMILESCc1cc(-c2ccccc2)ncc1-c1ccccc1-c1cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2-c2ccccc2)cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2-c2ccccc2)c1
InChIInChI=1S/C70H49N3/c1-48-39-68(51-27-11-4-12-28-51)71-45-65(48)60-36-20-17-33-57(60)54-40-55(58-34-18-21-37-61(58)66-46-72-69(52-29-13-5-14-30-52)43-63(66)49-23-7-2-8-24-49)42-56(41-54)59-35-19-22-38-62(59)67-47-73-70(53-31-15-6-16-32-53)44-64(67)50-25-9-3-10-26-50/h2-47H,1H3
InChIKeyBHNCGYQKOCSZFS-UHFFFAOYSA-N
MW932.18 g/mol
LogP18.52
Rot. Bonds11

About 5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine

5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine (PubChem CID 122487855) has the molecular formula C70H49N3 and a molecular weight of 932.18 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine.

Molecular Properties

Compound Name5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine
PubChem CID122487855
Molecular FormulaC70H49N3
Molecular Weight932.18 g/mol
Exact Mass931.39
IUPAC Name5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine
SMILESCc1cc(-c2ccccc2)ncc1-c1ccccc1-c1cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2-c2ccccc2)cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2-c2ccccc2)c1
InChIInChI=1S/C70H49N3/c1-48-39-68(51-27-11-4-12-28-51)71-45-65(48)60-36-20-17-33-57(60)54-40-55(58-34-18-21-37-61(58)66-46-72-69(52-29-13-5-14-30-52)43-63(66)49-23-7-2-8-24-49)42-56(41-54)59-35-19-22-38-62(59)67-47-73-70(53-31-15-6-16-32-53)44-64(67)50-25-9-3-10-26-50/h2-47H,1H3
InChIKeyBHNCGYQKOCSZFS-UHFFFAOYSA-N
XLogP18.52
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.18
LogP ≤ 518.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine?
The IUPAC name of 5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine (CID 122487855) is 5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine.
What is the SMILES notation for 5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine?
The canonical SMILES for 5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine is Cc1cc(-c2ccccc2)ncc1-c1ccccc1-c1cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2-c2ccccc2)cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2-c2ccccc2)c1.
What is the InChIKey of 5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine?
The InChIKey is BHNCGYQKOCSZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49N3/c1-48-39-68(51-27-11-4-12-28-51)71-45-65(48)60-36-20-17-33-57(60)54-40-55(58-34-18-21-37-61(58)66-46-72-69(52-29-13-5-14-30-52)43-63(66)49-23-7-2-8-24-49)42-56(41-54)59-35-19-22-38-62(59)67-47-73-70(53-31-15-6-16-32-53)44-64(67)50-25-9-3-10-26-50/h2-47H,1H3.
What are the key properties of 5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine?
5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine has a molecular weight of 932.18 g/mol, XLogP of 18.52, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine is sourced from PubChem (CID 122487855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).