[4-[5-chloro-2-(2-phenylmethoxynaphthalen-1-yl)phenyl]phenyl]-phenylphosphane

C35H26ClOP — CID 176912346

IUPAC[4-[5-chloro-2-(2-phenylmethoxynaphthalen-1-yl)phenyl]phenyl]-phenylphosphane
SMILESClc1ccc(-c2c(OCc3ccccc3)ccc3ccccc23)c(-c2ccc(Pc3ccccc3)cc2)c1
InChIInChI=1S/C35H26ClOP/c36-28-18-21-32(33(23-28)27-15-19-30(20-16-27)38-29-12-5-2-6-13-29)35-31-14-8-7-11-26(31)17-22-34(35)37-24-25-9-3-1-4-10-25/h1-23,38H,24H2
InChIKeyPRSKEEXCAGAYFC-UHFFFAOYSA-N
MW529.02 g/mol
LogP9.04
Rot. Bonds7

About [4-[5-chloro-2-(2-phenylmethoxynaphthalen-1-yl)phenyl]phenyl]-phenylphosphane

[4-[5-chloro-2-(2-phenylmethoxynaphthalen-1-yl)phenyl]phenyl]-phenylphosphane (PubChem CID 176912346) has the molecular formula C35H26ClOP and a molecular weight of 529.02 g/mol. Its IUPAC name is [4-[5-chloro-2-(2-phenylmethoxynaphthalen-1-yl)phenyl]phenyl]-phenylphosphane.

Molecular Properties

Compound Name[4-[5-chloro-2-(2-phenylmethoxynaphthalen-1-yl)phenyl]phenyl]-phenylphosphane
PubChem CID176912346
Molecular FormulaC35H26ClOP
Molecular Weight529.02 g/mol
Exact Mass528.14
IUPAC Name[4-[5-chloro-2-(2-phenylmethoxynaphthalen-1-yl)phenyl]phenyl]-phenylphosphane
SMILESClc1ccc(-c2c(OCc3ccccc3)ccc3ccccc23)c(-c2ccc(Pc3ccccc3)cc2)c1
InChIInChI=1S/C35H26ClOP/c36-28-18-21-32(33(23-28)27-15-19-30(20-16-27)38-29-12-5-2-6-13-29)35-31-14-8-7-11-26(31)17-22-34(35)37-24-25-9-3-1-4-10-25/h1-23,38H,24H2
InChIKeyPRSKEEXCAGAYFC-UHFFFAOYSA-N
XLogP9.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.02
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[5-chloro-2-(2-phenylmethoxynaphthalen-1-yl)phenyl]phenyl]-phenylphosphane?
The IUPAC name of [4-[5-chloro-2-(2-phenylmethoxynaphthalen-1-yl)phenyl]phenyl]-phenylphosphane (CID 176912346) is [4-[5-chloro-2-(2-phenylmethoxynaphthalen-1-yl)phenyl]phenyl]-phenylphosphane.
What is the SMILES notation for [4-[5-chloro-2-(2-phenylmethoxynaphthalen-1-yl)phenyl]phenyl]-phenylphosphane?
The canonical SMILES for [4-[5-chloro-2-(2-phenylmethoxynaphthalen-1-yl)phenyl]phenyl]-phenylphosphane is Clc1ccc(-c2c(OCc3ccccc3)ccc3ccccc23)c(-c2ccc(Pc3ccccc3)cc2)c1.
What is the InChIKey of [4-[5-chloro-2-(2-phenylmethoxynaphthalen-1-yl)phenyl]phenyl]-phenylphosphane?
The InChIKey is PRSKEEXCAGAYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26ClOP/c36-28-18-21-32(33(23-28)27-15-19-30(20-16-27)38-29-12-5-2-6-13-29)35-31-14-8-7-11-26(31)17-22-34(35)37-24-25-9-3-1-4-10-25/h1-23,38H,24H2.
What are the key properties of [4-[5-chloro-2-(2-phenylmethoxynaphthalen-1-yl)phenyl]phenyl]-phenylphosphane?
[4-[5-chloro-2-(2-phenylmethoxynaphthalen-1-yl)phenyl]phenyl]-phenylphosphane has a molecular weight of 529.02 g/mol, XLogP of 9.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-chloro-2-(2-phenylmethoxynaphthalen-1-yl)phenyl]phenyl]-phenylphosphane is sourced from PubChem (CID 176912346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).