4-(4-hydroxy-2-methylphenyl)-5-methyl-2-[4-(N-naphthalen-1-ylanilino)phenyl]phenol

C36H29NO2 — CID 143802735

IUPAC4-(4-hydroxy-2-methylphenyl)-5-methyl-2-[4-(N-naphthalen-1-ylanilino)phenyl]phenol
SMILESCc1cc(O)ccc1-c1cc(-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)c(O)cc1C
InChIInChI=1S/C36H29NO2/c1-24-21-30(38)19-20-31(24)33-23-34(36(39)22-25(33)2)27-15-17-29(18-16-27)37(28-11-4-3-5-12-28)35-14-8-10-26-9-6-7-13-32(26)35/h3-23,38-39H,1-2H3
InChIKeyABSPTXMRFYXMSH-UHFFFAOYSA-N
MW507.63 g/mol
LogP9.67
Rot. Bonds5

About 4-(4-hydroxy-2-methylphenyl)-5-methyl-2-[4-(N-naphthalen-1-ylanilino)phenyl]phenol

4-(4-hydroxy-2-methylphenyl)-5-methyl-2-[4-(N-naphthalen-1-ylanilino)phenyl]phenol (PubChem CID 143802735) has the molecular formula C36H29NO2 and a molecular weight of 507.63 g/mol. Its IUPAC name is 4-(4-hydroxy-2-methylphenyl)-5-methyl-2-[4-(N-naphthalen-1-ylanilino)phenyl]phenol.

Molecular Properties

Compound Name4-(4-hydroxy-2-methylphenyl)-5-methyl-2-[4-(N-naphthalen-1-ylanilino)phenyl]phenol
PubChem CID143802735
Molecular FormulaC36H29NO2
Molecular Weight507.63 g/mol
Exact Mass507.22
IUPAC Name4-(4-hydroxy-2-methylphenyl)-5-methyl-2-[4-(N-naphthalen-1-ylanilino)phenyl]phenol
SMILESCc1cc(O)ccc1-c1cc(-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)c(O)cc1C
InChIInChI=1S/C36H29NO2/c1-24-21-30(38)19-20-31(24)33-23-34(36(39)22-25(33)2)27-15-17-29(18-16-27)37(28-11-4-3-5-12-28)35-14-8-10-26-9-6-7-13-32(26)35/h3-23,38-39H,1-2H3
InChIKeyABSPTXMRFYXMSH-UHFFFAOYSA-N
XLogP9.67
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.63
LogP ≤ 59.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 123965706
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]naphthalen-1-yl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612695
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
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 154945555
N-[4-[4-[N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-[4-[4-(N-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 155471012
N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 58713806
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258
N-[4-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 162077665
N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 58729730
N-phenyl-N-[4-[4-(4-phenyl-N-[4-[4-[4-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 134455282

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2-methylphenyl)-5-methyl-2-[4-(N-naphthalen-1-ylanilino)phenyl]phenol?
The IUPAC name of 4-(4-hydroxy-2-methylphenyl)-5-methyl-2-[4-(N-naphthalen-1-ylanilino)phenyl]phenol (CID 143802735) is 4-(4-hydroxy-2-methylphenyl)-5-methyl-2-[4-(N-naphthalen-1-ylanilino)phenyl]phenol.
What is the SMILES notation for 4-(4-hydroxy-2-methylphenyl)-5-methyl-2-[4-(N-naphthalen-1-ylanilino)phenyl]phenol?
The canonical SMILES for 4-(4-hydroxy-2-methylphenyl)-5-methyl-2-[4-(N-naphthalen-1-ylanilino)phenyl]phenol is Cc1cc(O)ccc1-c1cc(-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)c(O)cc1C.
What is the InChIKey of 4-(4-hydroxy-2-methylphenyl)-5-methyl-2-[4-(N-naphthalen-1-ylanilino)phenyl]phenol?
The InChIKey is ABSPTXMRFYXMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29NO2/c1-24-21-30(38)19-20-31(24)33-23-34(36(39)22-25(33)2)27-15-17-29(18-16-27)37(28-11-4-3-5-12-28)35-14-8-10-26-9-6-7-13-32(26)35/h3-23,38-39H,1-2H3.
What are the key properties of 4-(4-hydroxy-2-methylphenyl)-5-methyl-2-[4-(N-naphthalen-1-ylanilino)phenyl]phenol?
4-(4-hydroxy-2-methylphenyl)-5-methyl-2-[4-(N-naphthalen-1-ylanilino)phenyl]phenol has a molecular weight of 507.63 g/mol, XLogP of 9.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2-methylphenyl)-5-methyl-2-[4-(N-naphthalen-1-ylanilino)phenyl]phenol is sourced from PubChem (CID 143802735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).