1-[2-bis(4-methoxyphenyl)phosphorylnaphthalen-1-yl]naphthalen-2-ol

C34H27O4P — CID 10459654

IUPAC1-[2-bis(4-methoxyphenyl)phosphorylnaphthalen-1-yl]naphthalen-2-ol
SMILESCOc1ccc(P(=O)(c2ccc(OC)cc2)c2ccc3ccccc3c2-c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C34H27O4P/c1-37-25-13-17-27(18-14-25)39(36,28-19-15-26(38-2)16-20-28)32-22-12-24-8-4-6-10-30(24)34(32)33-29-9-5-3-7-23(29)11-21-31(33)35/h3-22,35H,1-2H3
InChIKeyPRXNDPAXIDCPBF-UHFFFAOYSA-N
MW530.56 g/mol
LogP7.02
Rot. Bonds6

About 1-[2-bis(4-methoxyphenyl)phosphorylnaphthalen-1-yl]naphthalen-2-ol

1-[2-bis(4-methoxyphenyl)phosphorylnaphthalen-1-yl]naphthalen-2-ol (PubChem CID 10459654) has the molecular formula C34H27O4P and a molecular weight of 530.56 g/mol. Its IUPAC name is 1-[2-bis(4-methoxyphenyl)phosphorylnaphthalen-1-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[2-bis(4-methoxyphenyl)phosphorylnaphthalen-1-yl]naphthalen-2-ol
PubChem CID10459654
Molecular FormulaC34H27O4P
Molecular Weight530.56 g/mol
Exact Mass530.16
IUPAC Name1-[2-bis(4-methoxyphenyl)phosphorylnaphthalen-1-yl]naphthalen-2-ol
SMILESCOc1ccc(P(=O)(c2ccc(OC)cc2)c2ccc3ccccc3c2-c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C34H27O4P/c1-37-25-13-17-27(18-14-25)39(36,28-19-15-26(38-2)16-20-28)32-22-12-24-8-4-6-10-30(24)34(32)33-29-9-5-3-7-23(29)11-21-31(33)35/h3-22,35H,1-2H3
InChIKeyPRXNDPAXIDCPBF-UHFFFAOYSA-N
XLogP7.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.56
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-bis(4-methoxyphenyl)phosphorylnaphthalen-1-yl]naphthalen-2-ol?
The IUPAC name of 1-[2-bis(4-methoxyphenyl)phosphorylnaphthalen-1-yl]naphthalen-2-ol (CID 10459654) is 1-[2-bis(4-methoxyphenyl)phosphorylnaphthalen-1-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[2-bis(4-methoxyphenyl)phosphorylnaphthalen-1-yl]naphthalen-2-ol?
The canonical SMILES for 1-[2-bis(4-methoxyphenyl)phosphorylnaphthalen-1-yl]naphthalen-2-ol is COc1ccc(P(=O)(c2ccc(OC)cc2)c2ccc3ccccc3c2-c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 1-[2-bis(4-methoxyphenyl)phosphorylnaphthalen-1-yl]naphthalen-2-ol?
The InChIKey is PRXNDPAXIDCPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27O4P/c1-37-25-13-17-27(18-14-25)39(36,28-19-15-26(38-2)16-20-28)32-22-12-24-8-4-6-10-30(24)34(32)33-29-9-5-3-7-23(29)11-21-31(33)35/h3-22,35H,1-2H3.
What are the key properties of 1-[2-bis(4-methoxyphenyl)phosphorylnaphthalen-1-yl]naphthalen-2-ol?
1-[2-bis(4-methoxyphenyl)phosphorylnaphthalen-1-yl]naphthalen-2-ol has a molecular weight of 530.56 g/mol, XLogP of 7.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bis(4-methoxyphenyl)phosphorylnaphthalen-1-yl]naphthalen-2-ol is sourced from PubChem (CID 10459654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).