2-[6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)-2-pyridinyl]phenol

C52H46N4O — CID 155627594

IUPAC2-[6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)-2-pyridinyl]phenol
SMILESCc1cc(C)c(N(c2cc(-c3cccc(N(c4ccccn4)c4ccccc4-c4ccccc4)c3)nc(-c3ccccc3O)c2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C52H46N4O/c1-34-27-36(3)51(37(4)28-34)56(52-38(5)29-35(2)30-39(52)6)43-32-46(54-47(33-43)45-22-11-13-24-49(45)57)41-19-16-20-42(31-41)55(50-25-14-15-26-53-50)48-23-12-10-21-44(48)40-17-8-7-9-18-40/h7-33,57H,1-6H3
InChIKeyDOHORVPEYVYKEP-UHFFFAOYSA-N
MW742.97 g/mol
LogP13.97
Rot. Bonds9

About 2-[6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)-2-pyridinyl]phenol

2-[6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)-2-pyridinyl]phenol (PubChem CID 155627594) has the molecular formula C52H46N4O and a molecular weight of 742.97 g/mol. Its IUPAC name is 2-[6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)-2-pyridinyl]phenol
PubChem CID155627594
Molecular FormulaC52H46N4O
Molecular Weight742.97 g/mol
Exact Mass742.37
IUPAC Name2-[6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)-2-pyridinyl]phenol
SMILESCc1cc(C)c(N(c2cc(-c3cccc(N(c4ccccn4)c4ccccc4-c4ccccc4)c3)nc(-c3ccccc3O)c2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C52H46N4O/c1-34-27-36(3)51(37(4)28-34)56(52-38(5)29-35(2)30-39(52)6)43-32-46(54-47(33-43)45-22-11-13-24-49(45)57)41-19-16-20-42(31-41)55(50-25-14-15-26-53-50)48-23-12-10-21-44(48)40-17-8-7-9-18-40/h7-33,57H,1-6H3
InChIKeyDOHORVPEYVYKEP-UHFFFAOYSA-N
XLogP13.97
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.97
LogP ≤ 513.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-[3-(2,6-dimethyl-N-pyridin-2-ylanilino)phenyl]-4-phenyl-2-pyridinyl]phenol
CID 153304154
2-[4-(N-phenylanilino)-6-[3-(3-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
CID 155627571
2-[4,5-diphenoxy-6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
CID 155627613
2-[6-[3-[anthracen-9-yl(pyridin-2-yl)amino]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
CID 136600920
2-[6-(2,6-dimethylphenyl)-2-[3-[naphthalen-1-yl(pyridin-2-yl)amino]-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenol
CID 153280522
2-[6-[2-[naphthalen-1-yl(pyridin-2-yl)amino]dibenzothiophen-4-yl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol
CID 140846298
2-[6-[3-[4-(1-phenylethyl)-N-pyridin-2-ylanilino]phenyl]-2-pyridinyl]phenol
CID 164742080
2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 153280278
2,4,6-trimethyl-N-(3-phenyl-5-pyridin-2-ylphenyl)-N-(3-pyridin-2-ylphenyl)aniline
CID 140758620
1-N,1-N-dipyridin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine
CID 177074307
2-[3-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]phenol
CID 140874002
2-[4-(3,5-ditert-butylphenyl)-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;methane;platinum
CID 159267999

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)-2-pyridinyl]phenol?
The IUPAC name of 2-[6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)-2-pyridinyl]phenol (CID 155627594) is 2-[6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)-2-pyridinyl]phenol.
What is the SMILES notation for 2-[6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)-2-pyridinyl]phenol?
The canonical SMILES for 2-[6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)-2-pyridinyl]phenol is Cc1cc(C)c(N(c2cc(-c3cccc(N(c4ccccn4)c4ccccc4-c4ccccc4)c3)nc(-c3ccccc3O)c2)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 2-[6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)-2-pyridinyl]phenol?
The InChIKey is DOHORVPEYVYKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H46N4O/c1-34-27-36(3)51(37(4)28-34)56(52-38(5)29-35(2)30-39(52)6)43-32-46(54-47(33-43)45-22-11-13-24-49(45)57)41-19-16-20-42(31-41)55(50-25-14-15-26-53-50)48-23-12-10-21-44(48)40-17-8-7-9-18-40/h7-33,57H,1-6H3.
What are the key properties of 2-[6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)-2-pyridinyl]phenol?
2-[6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)-2-pyridinyl]phenol has a molecular weight of 742.97 g/mol, XLogP of 13.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)-2-pyridinyl]phenol is sourced from PubChem (CID 155627594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).