5-[2-[3,5-bis[2-[6-[3-(2,5-dimethylphenyl)phenyl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(2,5-dimethylphenyl)phenyl]pyridine

C81H69N3 — CID 153438979

IUPAC5-[2-[3,5-bis[2-[6-[3-(2,5-dimethylphenyl)phenyl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(2,5-dimethylphenyl)phenyl]pyridine
SMILESCc1ccc(C)c(-c2cccc(-c3ccc(-c4ccccc4C4CC(c5ccccc5-c5ccc(-c6cccc(-c7cc(C)ccc7C)c6)nc5)CC(c5ccccc5-c5ccc(-c6cccc(-c7cc(C)ccc7C)c6)nc5)C4)cn3)c2)c1
InChIInChI=1S/C81H69N3/c1-52-28-31-55(4)76(40-52)58-16-13-19-61(43-58)79-37-34-64(49-82-79)70-22-7-10-25-73(70)67-46-68(74-26-11-8-23-71(74)65-35-38-80(83-50-65)62-20-14-17-59(44-62)77-41-53(2)29-32-56(77)5)48-69(47-67)75-27-12-9-24-72(75)66-36-39-81(84-51-66)63-21-15-18-60(45-63)78-42-54(3)30-33-57(78)6/h7-45,49-51,67-69H,46-48H2,1-6H3
InChIKeyDCIMTRGWEAQHJL-UHFFFAOYSA-N
MW1084.46 g/mol
LogP21.56
Rot. Bonds12

About 5-[2-[3,5-bis[2-[6-[3-(2,5-dimethylphenyl)phenyl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(2,5-dimethylphenyl)phenyl]pyridine

5-[2-[3,5-bis[2-[6-[3-(2,5-dimethylphenyl)phenyl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(2,5-dimethylphenyl)phenyl]pyridine (PubChem CID 153438979) has the molecular formula C81H69N3 and a molecular weight of 1084.46 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-[6-[3-(2,5-dimethylphenyl)phenyl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(2,5-dimethylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name5-[2-[3,5-bis[2-[6-[3-(2,5-dimethylphenyl)phenyl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(2,5-dimethylphenyl)phenyl]pyridine
PubChem CID153438979
Molecular FormulaC81H69N3
Molecular Weight1084.46 g/mol
Exact Mass1083.55
IUPAC Name5-[2-[3,5-bis[2-[6-[3-(2,5-dimethylphenyl)phenyl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(2,5-dimethylphenyl)phenyl]pyridine
SMILESCc1ccc(C)c(-c2cccc(-c3ccc(-c4ccccc4C4CC(c5ccccc5-c5ccc(-c6cccc(-c7cc(C)ccc7C)c6)nc5)CC(c5ccccc5-c5ccc(-c6cccc(-c7cc(C)ccc7C)c6)nc5)C4)cn3)c2)c1
InChIInChI=1S/C81H69N3/c1-52-28-31-55(4)76(40-52)58-16-13-19-61(43-58)79-37-34-64(49-82-79)70-22-7-10-25-73(70)67-46-68(74-26-11-8-23-71(74)65-35-38-80(83-50-65)62-20-14-17-59(44-62)77-41-53(2)29-32-56(77)5)48-69(47-67)75-27-12-9-24-72(75)66-36-39-81(84-51-66)63-21-15-18-60(45-63)78-42-54(3)30-33-57(78)6/h7-45,49-51,67-69H,46-48H2,1-6H3
InChIKeyDCIMTRGWEAQHJL-UHFFFAOYSA-N
XLogP21.56
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001084.46
LogP ≤ 521.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[4-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine
CID 153448944
5-[2-[3,5-bis[2-[6-[3-(3-phenylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)
CID 153439051
5-[2-[3,5-bis[2-[6-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]-5-[2-(3,5-dimethylphenyl)phenyl]pyridine;iridium;iridium(3+)
CID 160652235
5-[3,5-bis(3-methylphenyl)phenyl]-2-[5-[3,5-bis(3-methylphenyl)phenyl]-2-pyridinyl]pyridine;5-[3,5-bis(3-methylphenyl)phenyl]-2-pyridin-2-ylpyridine;2-[4-(2,5-dimethylphenyl)phenyl]-6-pyridin-2-ylpyridine;2-[5-(2,5-dimethylphenyl)-2-pyridinyl]-5-(3,5-diphenylphenyl)pyridine;2-[3-(4-methylphenyl)phenyl]-6-[6-[3-(4-methylphenyl)phenyl]-2-pyridinyl]pyridine;2-[4-(3-methylphenyl)phenyl]-6-[6-[4-(3-methylphenyl)phenyl]-2-pyridinyl]pyridine
CID 157138374
5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine
CID 11209672
5-methyl-2-[3-(4-methylphenyl)phenyl]pyridine
CID 59294838
2-[3-(2,3-difluorophenyl)phenyl]-5-methylpyridine
CID 59294841
5-(2-fluoro-4-methylphenyl)-2-(3-fluoro-4-methylphenyl)pyridine
CID 54326590
5-methyl-2-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]pyridine
CID 171470506
2-phenyl-5-[2-[3-[2-[6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191385
5-(2-bromophenyl)-2-[(12S)-4-tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-trienyl]pyridine
CID 134434324
2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-4-tert-butylphenyl]cyclohexyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-4-tert-butylphenyl]cyclohexyl]-5-tert-butylphenyl]-3-bromophenyl]-4-tert-butylpyridine
CID 153449021

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-[6-[3-(2,5-dimethylphenyl)phenyl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(2,5-dimethylphenyl)phenyl]pyridine?
The IUPAC name of 5-[2-[3,5-bis[2-[6-[3-(2,5-dimethylphenyl)phenyl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(2,5-dimethylphenyl)phenyl]pyridine (CID 153438979) is 5-[2-[3,5-bis[2-[6-[3-(2,5-dimethylphenyl)phenyl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(2,5-dimethylphenyl)phenyl]pyridine.
What is the SMILES notation for 5-[2-[3,5-bis[2-[6-[3-(2,5-dimethylphenyl)phenyl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(2,5-dimethylphenyl)phenyl]pyridine?
The canonical SMILES for 5-[2-[3,5-bis[2-[6-[3-(2,5-dimethylphenyl)phenyl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(2,5-dimethylphenyl)phenyl]pyridine is Cc1ccc(C)c(-c2cccc(-c3ccc(-c4ccccc4C4CC(c5ccccc5-c5ccc(-c6cccc(-c7cc(C)ccc7C)c6)nc5)CC(c5ccccc5-c5ccc(-c6cccc(-c7cc(C)ccc7C)c6)nc5)C4)cn3)c2)c1.
What is the InChIKey of 5-[2-[3,5-bis[2-[6-[3-(2,5-dimethylphenyl)phenyl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(2,5-dimethylphenyl)phenyl]pyridine?
The InChIKey is DCIMTRGWEAQHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H69N3/c1-52-28-31-55(4)76(40-52)58-16-13-19-61(43-58)79-37-34-64(49-82-79)70-22-7-10-25-73(70)67-46-68(74-26-11-8-23-71(74)65-35-38-80(83-50-65)62-20-14-17-59(44-62)77-41-53(2)29-32-56(77)5)48-69(47-67)75-27-12-9-24-72(75)66-36-39-81(84-51-66)63-21-15-18-60(45-63)78-42-54(3)30-33-57(78)6/h7-45,49-51,67-69H,46-48H2,1-6H3.
What are the key properties of 5-[2-[3,5-bis[2-[6-[3-(2,5-dimethylphenyl)phenyl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(2,5-dimethylphenyl)phenyl]pyridine?
5-[2-[3,5-bis[2-[6-[3-(2,5-dimethylphenyl)phenyl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(2,5-dimethylphenyl)phenyl]pyridine has a molecular weight of 1084.46 g/mol, XLogP of 21.56, 12 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-[6-[3-(2,5-dimethylphenyl)phenyl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(2,5-dimethylphenyl)phenyl]pyridine is sourced from PubChem (CID 153438979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).