1-[(2,7-dihydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]naphthalene-2,7-diol

C33H24O4 — CID 90379061

IUPAC1-[(2,7-dihydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]naphthalene-2,7-diol
SMILESOc1ccc2ccc(O)c(C(c3ccc(-c4ccccc4)cc3)c3c(O)ccc4ccc(O)cc34)c2c1
InChIInChI=1S/C33H24O4/c34-25-14-10-22-12-16-29(36)32(27(22)18-25)31(24-8-6-21(7-9-24)20-4-2-1-3-5-20)33-28-19-26(35)15-11-23(28)13-17-30(33)37/h1-19,31,34-37H
InChIKeyYEFOEHAHFLYVPW-UHFFFAOYSA-N
MW484.55 g/mol
LogP7.66
Rot. Bonds4

About 1-[(2,7-dihydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]naphthalene-2,7-diol

1-[(2,7-dihydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]naphthalene-2,7-diol (PubChem CID 90379061) has the molecular formula C33H24O4 and a molecular weight of 484.55 g/mol. Its IUPAC name is 1-[(2,7-dihydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]naphthalene-2,7-diol.

Molecular Properties

Compound Name1-[(2,7-dihydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]naphthalene-2,7-diol
PubChem CID90379061
Molecular FormulaC33H24O4
Molecular Weight484.55 g/mol
Exact Mass484.17
IUPAC Name1-[(2,7-dihydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]naphthalene-2,7-diol
SMILESOc1ccc2ccc(O)c(C(c3ccc(-c4ccccc4)cc3)c3c(O)ccc4ccc(O)cc34)c2c1
InChIInChI=1S/C33H24O4/c34-25-14-10-22-12-16-29(36)32(27(22)18-25)31(24-8-6-21(7-9-24)20-4-2-1-3-5-20)33-28-19-26(35)15-11-23(28)13-17-30(33)37/h1-19,31,34-37H
InChIKeyYEFOEHAHFLYVPW-UHFFFAOYSA-N
XLogP7.66
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.55
LogP ≤ 57.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,7-dihydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]naphthalene-2,7-diol?
The IUPAC name of 1-[(2,7-dihydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]naphthalene-2,7-diol (CID 90379061) is 1-[(2,7-dihydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]naphthalene-2,7-diol.
What is the SMILES notation for 1-[(2,7-dihydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]naphthalene-2,7-diol?
The canonical SMILES for 1-[(2,7-dihydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]naphthalene-2,7-diol is Oc1ccc2ccc(O)c(C(c3ccc(-c4ccccc4)cc3)c3c(O)ccc4ccc(O)cc34)c2c1.
What is the InChIKey of 1-[(2,7-dihydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]naphthalene-2,7-diol?
The InChIKey is YEFOEHAHFLYVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24O4/c34-25-14-10-22-12-16-29(36)32(27(22)18-25)31(24-8-6-21(7-9-24)20-4-2-1-3-5-20)33-28-19-26(35)15-11-23(28)13-17-30(33)37/h1-19,31,34-37H.
What are the key properties of 1-[(2,7-dihydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]naphthalene-2,7-diol?
1-[(2,7-dihydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]naphthalene-2,7-diol has a molecular weight of 484.55 g/mol, XLogP of 7.66, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,7-dihydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]naphthalene-2,7-diol is sourced from PubChem (CID 90379061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).