5-[2-[3,5-bis[2-[4-methyl-6-[3-(3-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)phenyl]pyridine

C96H69N3 — CID 140838981

IUPAC5-[2-[3,5-bis[2-[4-methyl-6-[3-(3-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)phenyl]pyridine
SMILESCc1cc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)ncc1-c1ccccc1-c1cc(-c2ccccc2-c2cnc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)cc2C)cc(-c2ccccc2-c2cnc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)cc2C)c1
InChIInChI=1S/C96H69N3/c1-64-49-94(79-40-22-37-76(55-79)73-34-19-31-70(52-73)67-25-7-4-8-26-67)97-61-91(64)88-46-16-13-43-85(88)82-58-83(86-44-14-17-47-89(86)92-62-98-95(50-65(92)2)80-41-23-38-77(56-80)74-35-20-32-71(53-74)68-27-9-5-10-28-68)60-84(59-82)87-45-15-18-48-90(87)93-63-99-96(51-66(93)3)81-42-24-39-78(57-81)75-36-21-33-72(54-75)69-29-11-6-12-30-69/h4-63H,1-3H3
InChIKeyIPYDEKGDNKVSJW-UHFFFAOYSA-N
MW1264.63 g/mol
LogP25.80
Rot. Bonds15

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

5-[2-[3,5-bis[2-[4-methyl-6-[3-(3-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)phenyl]pyridine (PubChem CID 140838981) has the molecular formula C96H69N3 and a molecular weight of 1264.63 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-[4-methyl-6-[3-(3-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name5-[2-[3,5-bis[2-[4-methyl-6-[3-(3-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)phenyl]pyridine
PubChem CID140838981
Molecular FormulaC96H69N3
Molecular Weight1264.63 g/mol
Exact Mass1263.55
IUPAC Name5-[2-[3,5-bis[2-[4-methyl-6-[3-(3-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)phenyl]pyridine
SMILESCc1cc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)ncc1-c1ccccc1-c1cc(-c2ccccc2-c2cnc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)cc2C)cc(-c2ccccc2-c2cnc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)cc2C)c1
InChIInChI=1S/C96H69N3/c1-64-49-94(79-40-22-37-76(55-79)73-34-19-31-70(52-73)67-25-7-4-8-26-67)97-61-91(64)88-46-16-13-43-85(88)82-58-83(86-44-14-17-47-89(86)92-62-98-95(50-65(92)2)80-41-23-38-77(56-80)74-35-20-32-71(53-74)68-27-9-5-10-28-68)60-84(59-82)87-45-15-18-48-90(87)93-63-99-96(51-66(93)3)81-42-24-39-78(57-81)75-36-21-33-72(54-75)69-29-11-6-12-30-69/h4-63H,1-3H3
InChIKeyIPYDEKGDNKVSJW-UHFFFAOYSA-N
XLogP25.80
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001264.63
LogP ≤ 525.80
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-methyl-6-[3-(3-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)phenyl]pyridine?
The IUPAC name of 5-[2-[3,5-bis[2-[4-methyl-6-[3-(3-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)phenyl]pyridine (CID 140838981) is 5-[2-[3,5-bis[2-[4-methyl-6-[3-(3-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)phenyl]pyridine.
What is the SMILES notation for 5-[2-[3,5-bis[2-[4-methyl-6-[3-(3-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)phenyl]pyridine?
The canonical SMILES for 5-[2-[3,5-bis[2-[4-methyl-6-[3-(3-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)phenyl]pyridine is Cc1cc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)ncc1-c1ccccc1-c1cc(-c2ccccc2-c2cnc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)cc2C)cc(-c2ccccc2-c2cnc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)cc2C)c1.
What is the InChIKey of 5-[2-[3,5-bis[2-[4-methyl-6-[3-(3-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)phenyl]pyridine?
The InChIKey is IPYDEKGDNKVSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H69N3/c1-64-49-94(79-40-22-37-76(55-79)73-34-19-31-70(52-73)67-25-7-4-8-26-67)97-61-91(64)88-46-16-13-43-85(88)82-58-83(86-44-14-17-47-89(86)92-62-98-95(50-65(92)2)80-41-23-38-77(56-80)74-35-20-32-71(53-74)68-27-9-5-10-28-68)60-84(59-82)87-45-15-18-48-90(87)93-63-99-96(51-66(93)3)81-42-24-39-78(57-81)75-36-21-33-72(54-75)69-29-11-6-12-30-69/h4-63H,1-3H3.
What are the key properties of 5-[2-[3,5-bis[2-[4-methyl-6-[3-(3-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)phenyl]pyridine?
5-[2-[3,5-bis[2-[4-methyl-6-[3-(3-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)phenyl]pyridine has a molecular weight of 1264.63 g/mol, XLogP of 25.80, 15 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-methyl-6-[3-(3-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)phenyl]pyridine is sourced from PubChem (CID 140838981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).