[2-[2-[hydroxy(phenyl)methyl]-N-[2-[hydroxy(phenyl)methyl]phenyl]anilino]phenyl]-phenylmethanol

C39H33NO3 — CID 132774417

IUPAC[2-[2-[hydroxy(phenyl)methyl]-N-[2-[hydroxy(phenyl)methyl]phenyl]anilino]phenyl]-phenylmethanol
SMILESOC(c1ccccc1)c1ccccc1N(c1ccccc1C(O)c1ccccc1)c1ccccc1C(O)c1ccccc1
InChIInChI=1S/C39H33NO3/c41-37(28-16-4-1-5-17-28)31-22-10-13-25-34(31)40(35-26-14-11-23-32(35)38(42)29-18-6-2-7-19-29)36-27-15-12-24-33(36)39(43)30-20-8-3-9-21-30/h1-27,37-39,41-43H
InChIKeyFSPYXPZCGLDPLT-UHFFFAOYSA-N
MW563.70 g/mol
LogP8.40
Rot. Bonds9

About [2-[2-[hydroxy(phenyl)methyl]-N-[2-[hydroxy(phenyl)methyl]phenyl]anilino]phenyl]-phenylmethanol

[2-[2-[hydroxy(phenyl)methyl]-N-[2-[hydroxy(phenyl)methyl]phenyl]anilino]phenyl]-phenylmethanol (PubChem CID 132774417) has the molecular formula C39H33NO3 and a molecular weight of 563.70 g/mol. Its IUPAC name is [2-[2-[hydroxy(phenyl)methyl]-N-[2-[hydroxy(phenyl)methyl]phenyl]anilino]phenyl]-phenylmethanol.

Molecular Properties

Compound Name[2-[2-[hydroxy(phenyl)methyl]-N-[2-[hydroxy(phenyl)methyl]phenyl]anilino]phenyl]-phenylmethanol
PubChem CID132774417
Molecular FormulaC39H33NO3
Molecular Weight563.70 g/mol
Exact Mass563.25
IUPAC Name[2-[2-[hydroxy(phenyl)methyl]-N-[2-[hydroxy(phenyl)methyl]phenyl]anilino]phenyl]-phenylmethanol
SMILESOC(c1ccccc1)c1ccccc1N(c1ccccc1C(O)c1ccccc1)c1ccccc1C(O)c1ccccc1
InChIInChI=1S/C39H33NO3/c41-37(28-16-4-1-5-17-28)31-22-10-13-25-34(31)40(35-26-14-11-23-32(35)38(42)29-18-6-2-7-19-29)36-27-15-12-24-33(36)39(43)30-20-8-3-9-21-30/h1-27,37-39,41-43H
InChIKeyFSPYXPZCGLDPLT-UHFFFAOYSA-N
XLogP8.40
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 58.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463
(2-fluoro-3-pyridinyl)-phenylmethanol
CID 12711112
(R)-[2-[(dimethylamino)methyl]phenyl]-phenylmethanol
CID 2054209
(2-tert-butylphenyl)-phenylmethanol
CID 19438357
2-[hydroxy(phenyl)methyl]-6-sulfanylphenol
CID 12706367
phenyl-[2-(trideuteriomethoxy)phenyl]methanol
CID 101015641
phenyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62789776
[4-[hydroxy(phenyl)methyl]-2,5-diphenylphenyl]-phenylmethanol
CID 101169550
(2-bromo-3-methylphenyl)-phenylmethanol
CID 107983305
(S)-[2-(2-methylpropyl)phenyl]-phenylmethanol
CID 125467044
(2-amino-3-fluorophenyl)-phenylmethanol
CID 105470844
(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542470

Frequently Asked Questions

What is the IUPAC name of [2-[2-[hydroxy(phenyl)methyl]-N-[2-[hydroxy(phenyl)methyl]phenyl]anilino]phenyl]-phenylmethanol?
The IUPAC name of [2-[2-[hydroxy(phenyl)methyl]-N-[2-[hydroxy(phenyl)methyl]phenyl]anilino]phenyl]-phenylmethanol (CID 132774417) is [2-[2-[hydroxy(phenyl)methyl]-N-[2-[hydroxy(phenyl)methyl]phenyl]anilino]phenyl]-phenylmethanol.
What is the SMILES notation for [2-[2-[hydroxy(phenyl)methyl]-N-[2-[hydroxy(phenyl)methyl]phenyl]anilino]phenyl]-phenylmethanol?
The canonical SMILES for [2-[2-[hydroxy(phenyl)methyl]-N-[2-[hydroxy(phenyl)methyl]phenyl]anilino]phenyl]-phenylmethanol is OC(c1ccccc1)c1ccccc1N(c1ccccc1C(O)c1ccccc1)c1ccccc1C(O)c1ccccc1.
What is the InChIKey of [2-[2-[hydroxy(phenyl)methyl]-N-[2-[hydroxy(phenyl)methyl]phenyl]anilino]phenyl]-phenylmethanol?
The InChIKey is FSPYXPZCGLDPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33NO3/c41-37(28-16-4-1-5-17-28)31-22-10-13-25-34(31)40(35-26-14-11-23-32(35)38(42)29-18-6-2-7-19-29)36-27-15-12-24-33(36)39(43)30-20-8-3-9-21-30/h1-27,37-39,41-43H.
What are the key properties of [2-[2-[hydroxy(phenyl)methyl]-N-[2-[hydroxy(phenyl)methyl]phenyl]anilino]phenyl]-phenylmethanol?
[2-[2-[hydroxy(phenyl)methyl]-N-[2-[hydroxy(phenyl)methyl]phenyl]anilino]phenyl]-phenylmethanol has a molecular weight of 563.70 g/mol, XLogP of 8.40, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[hydroxy(phenyl)methyl]-N-[2-[hydroxy(phenyl)methyl]phenyl]anilino]phenyl]-phenylmethanol is sourced from PubChem (CID 132774417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).