1-[naphthalen-1-yl-(4-phenylphenyl)methyl]naphthalene-2,6-diol

C33H24O2 — CID 134202914

IUPAC1-[naphthalen-1-yl-(4-phenylphenyl)methyl]naphthalene-2,6-diol
SMILESOc1ccc2c(C(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)c(O)ccc2c1
InChIInChI=1S/C33H24O2/c34-27-18-19-29-26(21-27)17-20-31(35)33(29)32(30-12-6-10-24-9-4-5-11-28(24)30)25-15-13-23(14-16-25)22-7-2-1-3-8-22/h1-21,32,34-35H
InChIKeyXMPZIMBBCRITNP-UHFFFAOYSA-N
MW452.55 g/mol
LogP8.25
Rot. Bonds4

About 1-[naphthalen-1-yl-(4-phenylphenyl)methyl]naphthalene-2,6-diol

1-[naphthalen-1-yl-(4-phenylphenyl)methyl]naphthalene-2,6-diol (PubChem CID 134202914) has the molecular formula C33H24O2 and a molecular weight of 452.55 g/mol. Its IUPAC name is 1-[naphthalen-1-yl-(4-phenylphenyl)methyl]naphthalene-2,6-diol.

Molecular Properties

Compound Name1-[naphthalen-1-yl-(4-phenylphenyl)methyl]naphthalene-2,6-diol
PubChem CID134202914
Molecular FormulaC33H24O2
Molecular Weight452.55 g/mol
Exact Mass452.18
IUPAC Name1-[naphthalen-1-yl-(4-phenylphenyl)methyl]naphthalene-2,6-diol
SMILESOc1ccc2c(C(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)c(O)ccc2c1
InChIInChI=1S/C33H24O2/c34-27-18-19-29-26(21-27)17-20-31(35)33(29)32(30-12-6-10-24-9-4-5-11-28(24)30)25-15-13-23(14-16-25)22-7-2-1-3-8-22/h1-21,32,34-35H
InChIKeyXMPZIMBBCRITNP-UHFFFAOYSA-N
XLogP8.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.55
LogP ≤ 58.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[(2,7-dihydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]naphthalene-2,7-diol
CID 90379061
1-[[4-[4-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]phenyl]-phenylmethyl]naphthalene;1-[[4-[4-[[4-[4-[naphthalen-1-yl(phenyl)methyl]phenyl]phenyl]-phenylmethyl]phenyl]phenyl]-phenylmethyl]naphthalene
CID 91356771
1-[(2,3-dihydroxynaphthalen-1-yl)-naphthalen-1-ylmethyl]naphthalene-2,3-diol
CID 161485171
naphthalene-1,2-diol;naphthalene-1,6-diol
CID 160740349
4-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 177414285
4-[anthracen-9-yl-(4-methylphenyl)methyl]phenol
CID 20634072
5-propan-2-ylnaphthalen-2-ol
CID 19011144
3-tert-butyl-4-[1-(2-tert-butyl-4-hydroxyphenyl)propyl]phenol;4-[(4-hydroxyphenyl)-naphthalen-1-ylmethyl]phenol
CID 158398469
N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide
CID 139235353
bis(naphthalene-2,7-diol);naphthalen-1-ol
CID 174973186
6-bromo-1-[1H-indol-3-yl(phenyl)methyl]naphthalen-2-ol
CID 132544935
1-methylnaphthalene;1-[[4-(4-methylphenyl)phenyl]-phenylmethyl]naphthalene;toluene
CID 142867953

Frequently Asked Questions

What is the IUPAC name of 1-[naphthalen-1-yl-(4-phenylphenyl)methyl]naphthalene-2,6-diol?
The IUPAC name of 1-[naphthalen-1-yl-(4-phenylphenyl)methyl]naphthalene-2,6-diol (CID 134202914) is 1-[naphthalen-1-yl-(4-phenylphenyl)methyl]naphthalene-2,6-diol.
What is the SMILES notation for 1-[naphthalen-1-yl-(4-phenylphenyl)methyl]naphthalene-2,6-diol?
The canonical SMILES for 1-[naphthalen-1-yl-(4-phenylphenyl)methyl]naphthalene-2,6-diol is Oc1ccc2c(C(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)c(O)ccc2c1.
What is the InChIKey of 1-[naphthalen-1-yl-(4-phenylphenyl)methyl]naphthalene-2,6-diol?
The InChIKey is XMPZIMBBCRITNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24O2/c34-27-18-19-29-26(21-27)17-20-31(35)33(29)32(30-12-6-10-24-9-4-5-11-28(24)30)25-15-13-23(14-16-25)22-7-2-1-3-8-22/h1-21,32,34-35H.
What are the key properties of 1-[naphthalen-1-yl-(4-phenylphenyl)methyl]naphthalene-2,6-diol?
1-[naphthalen-1-yl-(4-phenylphenyl)methyl]naphthalene-2,6-diol has a molecular weight of 452.55 g/mol, XLogP of 8.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[naphthalen-1-yl-(4-phenylphenyl)methyl]naphthalene-2,6-diol is sourced from PubChem (CID 134202914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).