[2-[bis(3,5-dibromophenyl)phosphanylmethyl]phenyl]methyl-bis(3,5-dibromophenyl)phosphane

C32H20Br8P2 — CID 141066129

IUPAC[2-[bis(3,5-dibromophenyl)phosphanylmethyl]phenyl]methyl-bis(3,5-dibromophenyl)phosphane
SMILESBrc1cc(Br)cc(P(Cc2ccccc2CP(c2cc(Br)cc(Br)c2)c2cc(Br)cc(Br)c2)c2cc(Br)cc(Br)c2)c1
InChIInChI=1S/C32H20Br8P2/c33-21-5-22(34)10-29(9-21)41(30-11-23(35)6-24(36)12-30)17-19-3-1-2-4-20(19)18-42(31-13-25(37)7-26(38)14-31)32-15-27(39)8-28(40)16-32/h1-16H,17-18H2
InChIKeyMBRJLSDYHUPISD-UHFFFAOYSA-N
MW1105.69 g/mol
LogP13.05
Rot. Bonds8

About [2-[bis(3,5-dibromophenyl)phosphanylmethyl]phenyl]methyl-bis(3,5-dibromophenyl)phosphane

[2-[bis(3,5-dibromophenyl)phosphanylmethyl]phenyl]methyl-bis(3,5-dibromophenyl)phosphane (PubChem CID 141066129) has the molecular formula C32H20Br8P2 and a molecular weight of 1105.69 g/mol. Its IUPAC name is [2-[bis(3,5-dibromophenyl)phosphanylmethyl]phenyl]methyl-bis(3,5-dibromophenyl)phosphane.

Molecular Properties

Compound Name[2-[bis(3,5-dibromophenyl)phosphanylmethyl]phenyl]methyl-bis(3,5-dibromophenyl)phosphane
PubChem CID141066129
Molecular FormulaC32H20Br8P2
Molecular Weight1105.69 g/mol
Exact Mass1097.45
IUPAC Name[2-[bis(3,5-dibromophenyl)phosphanylmethyl]phenyl]methyl-bis(3,5-dibromophenyl)phosphane
SMILESBrc1cc(Br)cc(P(Cc2ccccc2CP(c2cc(Br)cc(Br)c2)c2cc(Br)cc(Br)c2)c2cc(Br)cc(Br)c2)c1
InChIInChI=1S/C32H20Br8P2/c33-21-5-22(34)10-29(9-21)41(30-11-23(35)6-24(36)12-30)17-19-3-1-2-4-20(19)18-42(31-13-25(37)7-26(38)14-31)32-15-27(39)8-28(40)16-32/h1-16H,17-18H2
InChIKeyMBRJLSDYHUPISD-UHFFFAOYSA-N
XLogP13.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001105.69
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[bis(3,5-dibromophenyl)phosphanylmethyl]phenyl]methyl-bis(3,5-dibromophenyl)phosphane?
The IUPAC name of [2-[bis(3,5-dibromophenyl)phosphanylmethyl]phenyl]methyl-bis(3,5-dibromophenyl)phosphane (CID 141066129) is [2-[bis(3,5-dibromophenyl)phosphanylmethyl]phenyl]methyl-bis(3,5-dibromophenyl)phosphane.
What is the SMILES notation for [2-[bis(3,5-dibromophenyl)phosphanylmethyl]phenyl]methyl-bis(3,5-dibromophenyl)phosphane?
The canonical SMILES for [2-[bis(3,5-dibromophenyl)phosphanylmethyl]phenyl]methyl-bis(3,5-dibromophenyl)phosphane is Brc1cc(Br)cc(P(Cc2ccccc2CP(c2cc(Br)cc(Br)c2)c2cc(Br)cc(Br)c2)c2cc(Br)cc(Br)c2)c1.
What is the InChIKey of [2-[bis(3,5-dibromophenyl)phosphanylmethyl]phenyl]methyl-bis(3,5-dibromophenyl)phosphane?
The InChIKey is MBRJLSDYHUPISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20Br8P2/c33-21-5-22(34)10-29(9-21)41(30-11-23(35)6-24(36)12-30)17-19-3-1-2-4-20(19)18-42(31-13-25(37)7-26(38)14-31)32-15-27(39)8-28(40)16-32/h1-16H,17-18H2.
What are the key properties of [2-[bis(3,5-dibromophenyl)phosphanylmethyl]phenyl]methyl-bis(3,5-dibromophenyl)phosphane?
[2-[bis(3,5-dibromophenyl)phosphanylmethyl]phenyl]methyl-bis(3,5-dibromophenyl)phosphane has a molecular weight of 1105.69 g/mol, XLogP of 13.05, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(3,5-dibromophenyl)phosphanylmethyl]phenyl]methyl-bis(3,5-dibromophenyl)phosphane is sourced from PubChem (CID 141066129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).