4-bromo-1-(4-bromo-2-diphenylphosphorylnaphthalen-1-yl)-2-diphenylphosphorylnaphthalene

C44H30Br2O2P2 — CID 10819193

IUPAC4-bromo-1-(4-bromo-2-diphenylphosphorylnaphthalen-1-yl)-2-diphenylphosphorylnaphthalene
SMILESO=P(c1ccccc1)(c1ccccc1)c1cc(Br)c2ccccc2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)cc(Br)c2ccccc12
InChIInChI=1S/C44H30Br2O2P2/c45-39-29-41(49(47,31-17-5-1-6-18-31)32-19-7-2-8-20-32)43(37-27-15-13-25-35(37)39)44-38-28-16-14-26-36(38)40(46)30-42(44)50(48,33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-30H
InChIKeyDIZBEBAJFNNOBF-UHFFFAOYSA-N
MW812.48 g/mol
LogP10.46
Rot. Bonds7

About 4-bromo-1-(4-bromo-2-diphenylphosphorylnaphthalen-1-yl)-2-diphenylphosphorylnaphthalene

4-bromo-1-(4-bromo-2-diphenylphosphorylnaphthalen-1-yl)-2-diphenylphosphorylnaphthalene (PubChem CID 10819193) has the molecular formula C44H30Br2O2P2 and a molecular weight of 812.48 g/mol. Its IUPAC name is 4-bromo-1-(4-bromo-2-diphenylphosphorylnaphthalen-1-yl)-2-diphenylphosphorylnaphthalene.

Molecular Properties

Compound Name4-bromo-1-(4-bromo-2-diphenylphosphorylnaphthalen-1-yl)-2-diphenylphosphorylnaphthalene
PubChem CID10819193
Molecular FormulaC44H30Br2O2P2
Molecular Weight812.48 g/mol
Exact Mass810.01
IUPAC Name4-bromo-1-(4-bromo-2-diphenylphosphorylnaphthalen-1-yl)-2-diphenylphosphorylnaphthalene
SMILESO=P(c1ccccc1)(c1ccccc1)c1cc(Br)c2ccccc2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)cc(Br)c2ccccc12
InChIInChI=1S/C44H30Br2O2P2/c45-39-29-41(49(47,31-17-5-1-6-18-31)32-19-7-2-8-20-32)43(37-27-15-13-25-35(37)39)44-38-28-16-14-26-36(38)40(46)30-42(44)50(48,33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-30H
InChIKeyDIZBEBAJFNNOBF-UHFFFAOYSA-N
XLogP10.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.48
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-bromo-1-(4-bromo-2-diphenylphosphorylnaphthalen-1-yl)-2-diphenylphosphorylnaphthalene?
The IUPAC name of 4-bromo-1-(4-bromo-2-diphenylphosphorylnaphthalen-1-yl)-2-diphenylphosphorylnaphthalene (CID 10819193) is 4-bromo-1-(4-bromo-2-diphenylphosphorylnaphthalen-1-yl)-2-diphenylphosphorylnaphthalene.
What is the SMILES notation for 4-bromo-1-(4-bromo-2-diphenylphosphorylnaphthalen-1-yl)-2-diphenylphosphorylnaphthalene?
The canonical SMILES for 4-bromo-1-(4-bromo-2-diphenylphosphorylnaphthalen-1-yl)-2-diphenylphosphorylnaphthalene is O=P(c1ccccc1)(c1ccccc1)c1cc(Br)c2ccccc2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)cc(Br)c2ccccc12.
What is the InChIKey of 4-bromo-1-(4-bromo-2-diphenylphosphorylnaphthalen-1-yl)-2-diphenylphosphorylnaphthalene?
The InChIKey is DIZBEBAJFNNOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30Br2O2P2/c45-39-29-41(49(47,31-17-5-1-6-18-31)32-19-7-2-8-20-32)43(37-27-15-13-25-35(37)39)44-38-28-16-14-26-36(38)40(46)30-42(44)50(48,33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-30H.
What are the key properties of 4-bromo-1-(4-bromo-2-diphenylphosphorylnaphthalen-1-yl)-2-diphenylphosphorylnaphthalene?
4-bromo-1-(4-bromo-2-diphenylphosphorylnaphthalen-1-yl)-2-diphenylphosphorylnaphthalene has a molecular weight of 812.48 g/mol, XLogP of 10.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-bromo-2-diphenylphosphorylnaphthalen-1-yl)-2-diphenylphosphorylnaphthalene is sourced from PubChem (CID 10819193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).