CID 162326327

C44H32NaP2 — CID 162326327

IUPAC—
SMILES[Na].c1ccc(P(c2ccccc2)c2cc3ccccc3c(-c3cccc4ccccc34)c2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C44H32P2.Na/c1-5-21-35(22-6-1)45(36-23-7-2-8-24-36)42-32-34-19-14-16-30-40(34)43(41-31-17-20-33-18-13-15-29-39(33)41)44(42)46(37-25-9-3-10-26-37)38-27-11-4-12-28-38;/h1-32H;
InChIKeyJUVOLCKHBSUSTL-UHFFFAOYSA-N
MW645.68 g/mol
LogP8.80
Rot. Bonds7

About CID 162326327

CID 162326327 (PubChem CID 162326327) has the molecular formula C44H32NaP2 and a molecular weight of 645.68 g/mol.

Molecular Properties

Compound NameCID 162326327
PubChem CID162326327
Molecular FormulaC44H32NaP2
Molecular Weight645.68 g/mol
Exact Mass645.19
IUPAC Name—
SMILES[Na].c1ccc(P(c2ccccc2)c2cc3ccccc3c(-c3cccc4ccccc34)c2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C44H32P2.Na/c1-5-21-35(22-6-1)45(36-23-7-2-8-24-36)42-32-34-19-14-16-30-40(34)43(41-31-17-20-33-18-13-15-29-39(33)41)44(42)46(37-25-9-3-10-26-37)38-27-11-4-12-28-38;/h1-32H;
InChIKeyJUVOLCKHBSUSTL-UHFFFAOYSA-N
XLogP8.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.68
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-diphenylphosphanyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]-diphenylphosphane
CID 10284023
3-diphenylphosphanyl-1-(3-diphenylphosphanyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 52912463
bis(3-methylphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
CID 22399765
[3-(3-diphenylphosphanyl-1-fluoronaphthalen-2-yl)-4-fluoronaphthalen-2-yl]-diphenylphosphane
CID 11607115
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
diphenyl-[1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 59732549
(1-naphthalen-1-ylnaphthalen-2-yl)oxy-diphenylphosphane
CID 150565289
1,10-dinaphthalen-1-ylanthracene
CID 58645117
bis(3,5-dimethoxyphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
CID 159583139
carbon monoxide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;rhodium
CID 139254479
trinaphthalen-1-ylphosphane;triphenylphosphane
CID 158068976
[1-[2-(3-fluorophenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
CID 164886915

Frequently Asked Questions

What is the IUPAC name of CID 162326327?
The IUPAC name of CID 162326327 (CID 162326327) is not available.
What is the SMILES notation for CID 162326327?
The canonical SMILES for CID 162326327 is [Na].c1ccc(P(c2ccccc2)c2cc3ccccc3c(-c3cccc4ccccc34)c2P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 162326327?
The InChIKey is JUVOLCKHBSUSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32P2.Na/c1-5-21-35(22-6-1)45(36-23-7-2-8-24-36)42-32-34-19-14-16-30-40(34)43(41-31-17-20-33-18-13-15-29-39(33)41)44(42)46(37-25-9-3-10-26-37)38-27-11-4-12-28-38;/h1-32H;.
What are the key properties of CID 162326327?
CID 162326327 has a molecular weight of 645.68 g/mol, XLogP of 8.80, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162326327 is sourced from PubChem (CID 162326327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).