1-[1-(7-hydroxynaphthalen-1-yl)-1-(4-phenylphenyl)ethyl]naphthalene-2,7-diol

C34H26O3 — CID 134202853

IUPAC1-[1-(7-hydroxynaphthalen-1-yl)-1-(4-phenylphenyl)ethyl]naphthalene-2,7-diol
SMILESCC(c1ccc(-c2ccccc2)cc1)(c1cccc2ccc(O)cc12)c1c(O)ccc2ccc(O)cc12
InChIInChI=1S/C34H26O3/c1-34(31-9-5-8-24-12-17-27(35)20-29(24)31,26-15-10-23(11-16-26)22-6-3-2-4-7-22)33-30-21-28(36)18-13-25(30)14-19-32(33)37/h2-21,35-37H,1H3
InChIKeyHIXJXLJUODHJFR-UHFFFAOYSA-N
MW482.58 g/mol
LogP8.13
Rot. Bonds4

About 1-[1-(7-hydroxynaphthalen-1-yl)-1-(4-phenylphenyl)ethyl]naphthalene-2,7-diol

1-[1-(7-hydroxynaphthalen-1-yl)-1-(4-phenylphenyl)ethyl]naphthalene-2,7-diol (PubChem CID 134202853) has the molecular formula C34H26O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 1-[1-(7-hydroxynaphthalen-1-yl)-1-(4-phenylphenyl)ethyl]naphthalene-2,7-diol.

Molecular Properties

Compound Name1-[1-(7-hydroxynaphthalen-1-yl)-1-(4-phenylphenyl)ethyl]naphthalene-2,7-diol
PubChem CID134202853
Molecular FormulaC34H26O3
Molecular Weight482.58 g/mol
Exact Mass482.19
IUPAC Name1-[1-(7-hydroxynaphthalen-1-yl)-1-(4-phenylphenyl)ethyl]naphthalene-2,7-diol
SMILESCC(c1ccc(-c2ccccc2)cc1)(c1cccc2ccc(O)cc12)c1c(O)ccc2ccc(O)cc12
InChIInChI=1S/C34H26O3/c1-34(31-9-5-8-24-12-17-27(35)20-29(24)31,26-15-10-23(11-16-26)22-6-3-2-4-7-22)33-30-21-28(36)18-13-25(30)14-19-32(33)37/h2-21,35-37H,1H3
InChIKeyHIXJXLJUODHJFR-UHFFFAOYSA-N
XLogP8.13
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 58.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[1-(7-hydroxynaphthalen-1-yl)-1-(4-phenylphenyl)ethyl]naphthalene-2,7-diol?
The IUPAC name of 1-[1-(7-hydroxynaphthalen-1-yl)-1-(4-phenylphenyl)ethyl]naphthalene-2,7-diol (CID 134202853) is 1-[1-(7-hydroxynaphthalen-1-yl)-1-(4-phenylphenyl)ethyl]naphthalene-2,7-diol.
What is the SMILES notation for 1-[1-(7-hydroxynaphthalen-1-yl)-1-(4-phenylphenyl)ethyl]naphthalene-2,7-diol?
The canonical SMILES for 1-[1-(7-hydroxynaphthalen-1-yl)-1-(4-phenylphenyl)ethyl]naphthalene-2,7-diol is CC(c1ccc(-c2ccccc2)cc1)(c1cccc2ccc(O)cc12)c1c(O)ccc2ccc(O)cc12.
What is the InChIKey of 1-[1-(7-hydroxynaphthalen-1-yl)-1-(4-phenylphenyl)ethyl]naphthalene-2,7-diol?
The InChIKey is HIXJXLJUODHJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26O3/c1-34(31-9-5-8-24-12-17-27(35)20-29(24)31,26-15-10-23(11-16-26)22-6-3-2-4-7-22)33-30-21-28(36)18-13-25(30)14-19-32(33)37/h2-21,35-37H,1H3.
What are the key properties of 1-[1-(7-hydroxynaphthalen-1-yl)-1-(4-phenylphenyl)ethyl]naphthalene-2,7-diol?
1-[1-(7-hydroxynaphthalen-1-yl)-1-(4-phenylphenyl)ethyl]naphthalene-2,7-diol has a molecular weight of 482.58 g/mol, XLogP of 8.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7-hydroxynaphthalen-1-yl)-1-(4-phenylphenyl)ethyl]naphthalene-2,7-diol is sourced from PubChem (CID 134202853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).