[5-methoxy-2,4-bis(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methanol

C56H44N2O2 — CID 118603901

IUPAC[5-methoxy-2,4-bis(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methanol
SMILESCOc1cc(CO)c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C56H44N2O2/c1-60-56-38-49(40-59)54(57(50-30-22-45(23-31-50)41-14-6-2-7-15-41)51-32-24-46(25-33-51)42-16-8-3-9-17-42)39-55(56)58(52-34-26-47(27-35-52)43-18-10-4-11-19-43)53-36-28-48(29-37-53)44-20-12-5-13-21-44/h2-39,59H,40H2,1H3
InChIKeyGMTKMEJDURXUJF-UHFFFAOYSA-N
MW776.98 g/mol
LogP14.80
Rot. Bonds12

About [5-methoxy-2,4-bis(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methanol

[5-methoxy-2,4-bis(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methanol (PubChem CID 118603901) has the molecular formula C56H44N2O2 and a molecular weight of 776.98 g/mol. Its IUPAC name is [5-methoxy-2,4-bis(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methanol.

Molecular Properties

Compound Name[5-methoxy-2,4-bis(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methanol
PubChem CID118603901
Molecular FormulaC56H44N2O2
Molecular Weight776.98 g/mol
Exact Mass776.34
IUPAC Name[5-methoxy-2,4-bis(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methanol
SMILESCOc1cc(CO)c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C56H44N2O2/c1-60-56-38-49(40-59)54(57(50-30-22-45(23-31-50)41-14-6-2-7-15-41)51-32-24-46(25-33-51)42-16-8-3-9-17-42)39-55(56)58(52-34-26-47(27-35-52)43-18-10-4-11-19-43)53-36-28-48(29-37-53)44-20-12-5-13-21-44/h2-39,59H,40H2,1H3
InChIKeyGMTKMEJDURXUJF-UHFFFAOYSA-N
XLogP14.80
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.98
LogP ≤ 514.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[4-(N,4-dimethylanilino)-3-methoxyphenyl]-2-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methanol
CID 58038434
[5-(N-[4-[4-[4-(N-(3-methoxy-4-methylphenyl)anilino)phenyl]phenyl]phenyl]anilino)-2-methylphenyl]methanol
CID 59148672
1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine
CID 101381671
4-phenyl-1-N,1-N,3-N,3-N,6-pentakis(4-phenylphenyl)benzene-1,3-diamine
CID 118603870
N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431945
methyl 4-methoxy-2-phenyl-5-(N-phenylanilino)benzoate
CID 175071679
1-N,3-N,4,6-tetraphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 118603843
4-N,4-N-bis(3,5-dimethylphenyl)-1-N-[4-[4-[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-N-naphthalen-1-ylanilino]phenyl]phenyl]-1-N-naphthalen-1-ylbenzene-1,4-diamine;1-N-(2-methoxyphenyl)-4-N-[4-[4-[4-(N-(2-methoxyphenyl)anilino)-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-[4-[4-(4-methyl-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino)phenyl]phenyl]-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine;1-N-(3-methylphenyl)-1-N-[4-[4-[N-(3-methylphenyl)-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine
CID 160896783
N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431752
2-methoxy-4-[3-methoxy-4-(N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-phenylaniline
CID 14533990
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2,4-bis(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methanol?
The IUPAC name of [5-methoxy-2,4-bis(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methanol (CID 118603901) is [5-methoxy-2,4-bis(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methanol.
What is the SMILES notation for [5-methoxy-2,4-bis(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methanol?
The canonical SMILES for [5-methoxy-2,4-bis(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methanol is COc1cc(CO)c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [5-methoxy-2,4-bis(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methanol?
The InChIKey is GMTKMEJDURXUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N2O2/c1-60-56-38-49(40-59)54(57(50-30-22-45(23-31-50)41-14-6-2-7-15-41)51-32-24-46(25-33-51)42-16-8-3-9-17-42)39-55(56)58(52-34-26-47(27-35-52)43-18-10-4-11-19-43)53-36-28-48(29-37-53)44-20-12-5-13-21-44/h2-39,59H,40H2,1H3.
What are the key properties of [5-methoxy-2,4-bis(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methanol?
[5-methoxy-2,4-bis(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methanol has a molecular weight of 776.98 g/mol, XLogP of 14.80, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2,4-bis(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methanol is sourced from PubChem (CID 118603901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).