[2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3-bromo-6-methoxyphenyl]-6-bromo-3-methoxyphenyl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane

C46H22Br2F24O2P2 — CID 132503950

IUPAC[2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3-bromo-6-methoxyphenyl]-6-bromo-3-methoxyphenyl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane
SMILESCOc1ccc(Br)c(P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1c(OC)ccc(Br)c1P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C46H22Br2F24O2P2/c1-73-33-5-3-31(47)37(75(27-11-19(39(49,50)51)7-20(12-27)40(52,53)54)28-13-21(41(55,56)57)8-22(14-28)42(58,59)60)35(33)36-34(74-2)6-4-32(48)38(36)76(29-15-23(43(61,62)63)9-24(16-29)44(64,65)66)30-17-25(45(67,68)69)10-26(18-30)46(70,71)72/h3-18H,1-2H3
InChIKeyLRWILSJSHPOKDD-UHFFFAOYSA-N
MW1284.39 g/mol
LogP16.56
Rot. Bonds9

About [2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3-bromo-6-methoxyphenyl]-6-bromo-3-methoxyphenyl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane

[2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3-bromo-6-methoxyphenyl]-6-bromo-3-methoxyphenyl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane (PubChem CID 132503950) has the molecular formula C46H22Br2F24O2P2 and a molecular weight of 1284.39 g/mol. Its IUPAC name is [2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3-bromo-6-methoxyphenyl]-6-bromo-3-methoxyphenyl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane.

Molecular Properties

Compound Name[2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3-bromo-6-methoxyphenyl]-6-bromo-3-methoxyphenyl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane
PubChem CID132503950
Molecular FormulaC46H22Br2F24O2P2
Molecular Weight1284.39 g/mol
Exact Mass1281.91
IUPAC Name[2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3-bromo-6-methoxyphenyl]-6-bromo-3-methoxyphenyl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane
SMILESCOc1ccc(Br)c(P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1c(OC)ccc(Br)c1P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C46H22Br2F24O2P2/c1-73-33-5-3-31(47)37(75(27-11-19(39(49,50)51)7-20(12-27)40(52,53)54)28-13-21(41(55,56)57)8-22(14-28)42(58,59)60)35(33)36-34(74-2)6-4-32(48)38(36)76(29-15-23(43(61,62)63)9-24(16-29)44(64,65)66)30-17-25(45(67,68)69)10-26(18-30)46(70,71)72/h3-18H,1-2H3
InChIKeyLRWILSJSHPOKDD-UHFFFAOYSA-N
XLogP16.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001284.39
LogP ≤ 516.56
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 [2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3-bromo-6-methoxyphenyl]-6-bromo-3-methoxyphenyl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane?
The IUPAC name of [2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3-bromo-6-methoxyphenyl]-6-bromo-3-methoxyphenyl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane (CID 132503950) is [2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3-bromo-6-methoxyphenyl]-6-bromo-3-methoxyphenyl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane.
What is the SMILES notation for [2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3-bromo-6-methoxyphenyl]-6-bromo-3-methoxyphenyl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane?
The canonical SMILES for [2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3-bromo-6-methoxyphenyl]-6-bromo-3-methoxyphenyl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane is COc1ccc(Br)c(P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1c(OC)ccc(Br)c1P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of [2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3-bromo-6-methoxyphenyl]-6-bromo-3-methoxyphenyl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane?
The InChIKey is LRWILSJSHPOKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H22Br2F24O2P2/c1-73-33-5-3-31(47)37(75(27-11-19(39(49,50)51)7-20(12-27)40(52,53)54)28-13-21(41(55,56)57)8-22(14-28)42(58,59)60)35(33)36-34(74-2)6-4-32(48)38(36)76(29-15-23(43(61,62)63)9-24(16-29)44(64,65)66)30-17-25(45(67,68)69)10-26(18-30)46(70,71)72/h3-18H,1-2H3.
What are the key properties of [2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3-bromo-6-methoxyphenyl]-6-bromo-3-methoxyphenyl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane?
[2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3-bromo-6-methoxyphenyl]-6-bromo-3-methoxyphenyl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane has a molecular weight of 1284.39 g/mol, XLogP of 16.56, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3-bromo-6-methoxyphenyl]-6-bromo-3-methoxyphenyl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane is sourced from PubChem (CID 132503950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).