2-(1-hydroxy-3-phenylnaphthalen-2-yl)-3-phenylnaphthalen-1-ol

C32H22O2 — CID 5251124

IUPAC2-(1-hydroxy-3-phenylnaphthalen-2-yl)-3-phenylnaphthalen-1-ol
SMILESOc1c(-c2c(-c3ccccc3)cc3ccccc3c2O)c(-c2ccccc2)cc2ccccc12
InChIInChI=1S/C32H22O2/c33-31-25-17-9-7-15-23(25)19-27(21-11-3-1-4-12-21)29(31)30-28(22-13-5-2-6-14-22)20-24-16-8-10-18-26(24)32(30)34/h1-20,33-34H
InChIKeyNDTDVKKGYBULHF-UHFFFAOYSA-N
MW438.53 g/mol
LogP8.41
Rot. Bonds3

About 2-(1-hydroxy-3-phenylnaphthalen-2-yl)-3-phenylnaphthalen-1-ol

2-(1-hydroxy-3-phenylnaphthalen-2-yl)-3-phenylnaphthalen-1-ol (PubChem CID 5251124) has the molecular formula C32H22O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-(1-hydroxy-3-phenylnaphthalen-2-yl)-3-phenylnaphthalen-1-ol.

Molecular Properties

Compound Name2-(1-hydroxy-3-phenylnaphthalen-2-yl)-3-phenylnaphthalen-1-ol
PubChem CID5251124
Molecular FormulaC32H22O2
Molecular Weight438.53 g/mol
Exact Mass438.16
IUPAC Name2-(1-hydroxy-3-phenylnaphthalen-2-yl)-3-phenylnaphthalen-1-ol
SMILESOc1c(-c2c(-c3ccccc3)cc3ccccc3c2O)c(-c2ccccc2)cc2ccccc12
InChIInChI=1S/C32H22O2/c33-31-25-17-9-7-15-23(25)19-27(21-11-3-1-4-12-21)29(31)30-28(22-13-5-2-6-14-22)20-24-16-8-10-18-26(24)32(30)34/h1-20,33-34H
InChIKeyNDTDVKKGYBULHF-UHFFFAOYSA-N
XLogP8.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 58.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-phenylnaphthalen-2-yl)-3-phenylnaphthalen-1-ol?
The IUPAC name of 2-(1-hydroxy-3-phenylnaphthalen-2-yl)-3-phenylnaphthalen-1-ol (CID 5251124) is 2-(1-hydroxy-3-phenylnaphthalen-2-yl)-3-phenylnaphthalen-1-ol.
What is the SMILES notation for 2-(1-hydroxy-3-phenylnaphthalen-2-yl)-3-phenylnaphthalen-1-ol?
The canonical SMILES for 2-(1-hydroxy-3-phenylnaphthalen-2-yl)-3-phenylnaphthalen-1-ol is Oc1c(-c2c(-c3ccccc3)cc3ccccc3c2O)c(-c2ccccc2)cc2ccccc12.
What is the InChIKey of 2-(1-hydroxy-3-phenylnaphthalen-2-yl)-3-phenylnaphthalen-1-ol?
The InChIKey is NDTDVKKGYBULHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O2/c33-31-25-17-9-7-15-23(25)19-27(21-11-3-1-4-12-21)29(31)30-28(22-13-5-2-6-14-22)20-24-16-8-10-18-26(24)32(30)34/h1-20,33-34H.
What are the key properties of 2-(1-hydroxy-3-phenylnaphthalen-2-yl)-3-phenylnaphthalen-1-ol?
2-(1-hydroxy-3-phenylnaphthalen-2-yl)-3-phenylnaphthalen-1-ol has a molecular weight of 438.53 g/mol, XLogP of 8.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-phenylnaphthalen-2-yl)-3-phenylnaphthalen-1-ol is sourced from PubChem (CID 5251124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).