2-[4-[4-(1-phenylethyl)phenyl]-6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-4-(2-phenylpropan-2-yl)phenol

C57H46N2O — CID 164742870

IUPAC2-[4-[4-(1-phenylethyl)phenyl]-6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-4-(2-phenylpropan-2-yl)phenol
SMILESCC(c1ccccc1)c1ccc(-c2cc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)ccn4)c3)nc(-c3cc(C(C)(C)c4ccccc4)ccc3O)c2)cc1
InChIInChI=1S/C57H46N2O/c1-39(40-16-8-4-9-17-40)41-24-26-44(27-25-41)47-36-54(59-55(37-47)52-38-51(28-29-56(52)60)57(2,3)50-22-14-7-15-23-50)49-33-46(43-20-12-6-13-21-43)32-48(34-49)53-35-45(30-31-58-53)42-18-10-5-11-19-42/h4-39,60H,1-3H3
InChIKeySAMVDDPCLGIJQC-UHFFFAOYSA-N
MW775.01 g/mol
LogP14.66
Rot. Bonds10

About 2-[4-[4-(1-phenylethyl)phenyl]-6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-4-(2-phenylpropan-2-yl)phenol

2-[4-[4-(1-phenylethyl)phenyl]-6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-4-(2-phenylpropan-2-yl)phenol (PubChem CID 164742870) has the molecular formula C57H46N2O and a molecular weight of 775.01 g/mol. Its IUPAC name is 2-[4-[4-(1-phenylethyl)phenyl]-6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-4-(2-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name2-[4-[4-(1-phenylethyl)phenyl]-6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-4-(2-phenylpropan-2-yl)phenol
PubChem CID164742870
Molecular FormulaC57H46N2O
Molecular Weight775.01 g/mol
Exact Mass774.36
IUPAC Name2-[4-[4-(1-phenylethyl)phenyl]-6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-4-(2-phenylpropan-2-yl)phenol
SMILESCC(c1ccccc1)c1ccc(-c2cc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)ccn4)c3)nc(-c3cc(C(C)(C)c4ccccc4)ccc3O)c2)cc1
InChIInChI=1S/C57H46N2O/c1-39(40-16-8-4-9-17-40)41-24-26-44(27-25-41)47-36-54(59-55(37-47)52-38-51(28-29-56(52)60)57(2,3)50-22-14-7-15-23-50)49-33-46(43-20-12-6-13-21-43)32-48(34-49)53-35-45(30-31-58-53)42-18-10-5-11-19-42/h4-39,60H,1-3H3
InChIKeySAMVDDPCLGIJQC-UHFFFAOYSA-N
XLogP14.66
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.01
LogP ≤ 514.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-phenyl-5-[4-(1-phenylethyl)-2-pyridinyl]phenyl]-1,3-benzothiazol-2-yl]phenol
CID 164743000
2-[6-[3-tert-butyl-5-(N-[4-[4-(1-phenylethyl)phenyl]-2-pyridinyl]anilino)phenyl]-4-(4-fluorophenyl)-2-pyridinyl]phenol
CID 164742034
2,4-ditert-butyl-6-[4-phenyl-6-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum
CID 164742424
4-tert-butyl-2-[3-phenyl-7-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]imidazo[4,5-b]pyridin-2-yl]phenol
CID 140864541
2-[6-[3-tert-butyl-5-(N-[4-(2-phenylpropan-2-yl)-2-pyridinyl]anilino)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenol
CID 164742880
4-tert-butyl-2-phenyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 164713116
2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 153479407
2-[4-[3-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4-tert-butylphenol
CID 176593383
2,4-ditert-butyl-6-[4-[3-phenyl-5-[4-(1-phenylethyl)-2-pyridinyl]phenyl]-1,3-benzoxazol-2-yl]phenol
CID 164742318
2,4-ditert-butyl-6-[4-phenyl-6-[3-(N-[4-[4-(1-phenylethyl)phenyl]-2-pyridinyl]anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 164743326
2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-diphenylphenol
CID 164713272
2-[4-tert-butyl-6-[3-tert-butyl-5-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]-4-(2-phenylpropan-2-yl)phenol
CID 164742517

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(1-phenylethyl)phenyl]-6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-4-(2-phenylpropan-2-yl)phenol?
The IUPAC name of 2-[4-[4-(1-phenylethyl)phenyl]-6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-4-(2-phenylpropan-2-yl)phenol (CID 164742870) is 2-[4-[4-(1-phenylethyl)phenyl]-6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-4-(2-phenylpropan-2-yl)phenol.
What is the SMILES notation for 2-[4-[4-(1-phenylethyl)phenyl]-6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-4-(2-phenylpropan-2-yl)phenol?
The canonical SMILES for 2-[4-[4-(1-phenylethyl)phenyl]-6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-4-(2-phenylpropan-2-yl)phenol is CC(c1ccccc1)c1ccc(-c2cc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)ccn4)c3)nc(-c3cc(C(C)(C)c4ccccc4)ccc3O)c2)cc1.
What is the InChIKey of 2-[4-[4-(1-phenylethyl)phenyl]-6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-4-(2-phenylpropan-2-yl)phenol?
The InChIKey is SAMVDDPCLGIJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H46N2O/c1-39(40-16-8-4-9-17-40)41-24-26-44(27-25-41)47-36-54(59-55(37-47)52-38-51(28-29-56(52)60)57(2,3)50-22-14-7-15-23-50)49-33-46(43-20-12-6-13-21-43)32-48(34-49)53-35-45(30-31-58-53)42-18-10-5-11-19-42/h4-39,60H,1-3H3.
What are the key properties of 2-[4-[4-(1-phenylethyl)phenyl]-6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-4-(2-phenylpropan-2-yl)phenol?
2-[4-[4-(1-phenylethyl)phenyl]-6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-4-(2-phenylpropan-2-yl)phenol has a molecular weight of 775.01 g/mol, XLogP of 14.66, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(1-phenylethyl)phenyl]-6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-4-(2-phenylpropan-2-yl)phenol is sourced from PubChem (CID 164742870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).