5-benzyl-2-[6-[3-[4-(2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol

C43H34N2O — CID 164742868

IUPAC5-benzyl-2-[6-[3-[4-(2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol
SMILESCc1cccc(C)c1-c1ccnc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccc(Cc5ccccc5)cc4O)n3)c2)c1
InChIInChI=1S/C43H34N2O/c1-29-11-9-12-30(2)43(29)36-21-22-44-39(26-36)34-17-10-18-35(25-34)40-27-37(33-15-7-4-8-16-33)28-41(45-40)38-20-19-32(24-42(38)46)23-31-13-5-3-6-14-31/h3-22,24-28,46H,23H2,1-2H3
InChIKeyOWAROKYOILSLSQ-UHFFFAOYSA-N
MW594.76 g/mol
LogP10.72
Rot. Bonds7

About 5-benzyl-2-[6-[3-[4-(2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol

5-benzyl-2-[6-[3-[4-(2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol (PubChem CID 164742868) has the molecular formula C43H34N2O and a molecular weight of 594.76 g/mol. Its IUPAC name is 5-benzyl-2-[6-[3-[4-(2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol.

Molecular Properties

Compound Name5-benzyl-2-[6-[3-[4-(2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol
PubChem CID164742868
Molecular FormulaC43H34N2O
Molecular Weight594.76 g/mol
Exact Mass594.27
IUPAC Name5-benzyl-2-[6-[3-[4-(2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol
SMILESCc1cccc(C)c1-c1ccnc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccc(Cc5ccccc5)cc4O)n3)c2)c1
InChIInChI=1S/C43H34N2O/c1-29-11-9-12-30(2)43(29)36-21-22-44-39(26-36)34-17-10-18-35(25-34)40-27-37(33-15-7-4-8-16-33)28-41(45-40)38-20-19-32(24-42(38)46)23-31-13-5-3-6-14-31/h3-22,24-28,46H,23H2,1-2H3
InChIKeyOWAROKYOILSLSQ-UHFFFAOYSA-N
XLogP10.72
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.76
LogP ≤ 510.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 164742712
4-(2,6-dimethylphenyl)-2-[3-[3-(6-phenylhexyl)phenyl]phenyl]pyridine
CID 155602159
2-[4-(2,6-dimethylphenyl)-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]-5-phenylphenol
CID 169318249
2-[6-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-4-(2,2-dimethylpropyl)-2-pyridinyl]-4,6-ditert-butylphenol
CID 164743090
2-[4-(3,5-ditert-butylphenyl)-6-[3-(4-methyl-2-pyridinyl)phenyl]-2-pyridinyl]phenol
CID 167332357
4-(2,6-dimethylphenyl)-2-naphthalen-2-ylpyridine
CID 140733756
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine
CID 159470077
4-benzyl-2-(4-phenylphenyl)pyridine
CID 162707059
2-[4-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(4-phenyldibenzofuran-1-yl)benzimidazol-2-yl]phenol
CID 164742366
4-benzyl-2-[3-(4-fluorophenyl)phenyl]pyridine
CID 162709839
2-[6-(3-benzyl-5-pyridin-2-ylphenyl)-2-pyridinyl]phenol
CID 164743046

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-[6-[3-[4-(2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol?
The IUPAC name of 5-benzyl-2-[6-[3-[4-(2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol (CID 164742868) is 5-benzyl-2-[6-[3-[4-(2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol.
What is the SMILES notation for 5-benzyl-2-[6-[3-[4-(2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol?
The canonical SMILES for 5-benzyl-2-[6-[3-[4-(2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol is Cc1cccc(C)c1-c1ccnc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccc(Cc5ccccc5)cc4O)n3)c2)c1.
What is the InChIKey of 5-benzyl-2-[6-[3-[4-(2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol?
The InChIKey is OWAROKYOILSLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N2O/c1-29-11-9-12-30(2)43(29)36-21-22-44-39(26-36)34-17-10-18-35(25-34)40-27-37(33-15-7-4-8-16-33)28-41(45-40)38-20-19-32(24-42(38)46)23-31-13-5-3-6-14-31/h3-22,24-28,46H,23H2,1-2H3.
What are the key properties of 5-benzyl-2-[6-[3-[4-(2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol?
5-benzyl-2-[6-[3-[4-(2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol has a molecular weight of 594.76 g/mol, XLogP of 10.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-[6-[3-[4-(2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol is sourced from PubChem (CID 164742868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).