[1-[2-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane

C80H104O4P2 — CID 10153910

IUPAC[1-[2-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane
SMILESCOc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccc3ccccc3c2-c2c(P(c3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)c3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)ccc3ccccc23)cc1C(C)(C)C
InChIInChI=1S/C80H104O4P2/c1-73(2,3)57-41-51(42-58(69(57)81-25)74(4,5)6)85(52-43-59(75(7,8)9)70(82-26)60(44-52)76(10,11)12)65-39-37-49-33-29-31-35-55(49)67(65)68-56-36-32-30-34-50(56)38-40-66(68)86(53-45-61(77(13,14)15)71(83-27)62(46-53)78(16,17)18)54-47-63(79(19,20)21)72(84-28)64(48-54)80(22,23)24/h29-48H,1-28H3
InChIKeyCRELPJJGSLSRBO-UHFFFAOYSA-N
MW1191.66 g/mol
LogP19.59
Rot. Bonds11

About [1-[2-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane

[1-[2-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane (PubChem CID 10153910) has the molecular formula C80H104O4P2 and a molecular weight of 1191.66 g/mol. Its IUPAC name is [1-[2-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane.

Molecular Properties

Compound Name[1-[2-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane
PubChem CID10153910
Molecular FormulaC80H104O4P2
Molecular Weight1191.66 g/mol
Exact Mass1190.74
IUPAC Name[1-[2-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane
SMILESCOc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccc3ccccc3c2-c2c(P(c3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)c3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)ccc3ccccc23)cc1C(C)(C)C
InChIInChI=1S/C80H104O4P2/c1-73(2,3)57-41-51(42-58(69(57)81-25)74(4,5)6)85(52-43-59(75(7,8)9)70(82-26)60(44-52)76(10,11)12)65-39-37-49-33-29-31-35-55(49)67(65)68-56-36-32-30-34-50(56)38-40-66(68)86(53-45-61(77(13,14)15)71(83-27)62(46-53)78(16,17)18)54-47-63(79(19,20)21)72(84-28)64(48-54)80(22,23)24/h29-48H,1-28H3
InChIKeyCRELPJJGSLSRBO-UHFFFAOYSA-N
XLogP19.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001191.66
LogP ≤ 519.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[2-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane?
The IUPAC name of [1-[2-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane (CID 10153910) is [1-[2-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane.
What is the SMILES notation for [1-[2-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane?
The canonical SMILES for [1-[2-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane is COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccc3ccccc3c2-c2c(P(c3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)c3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)ccc3ccccc23)cc1C(C)(C)C.
What is the InChIKey of [1-[2-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane?
The InChIKey is CRELPJJGSLSRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H104O4P2/c1-73(2,3)57-41-51(42-58(69(57)81-25)74(4,5)6)85(52-43-59(75(7,8)9)70(82-26)60(44-52)76(10,11)12)65-39-37-49-33-29-31-35-55(49)67(65)68-56-36-32-30-34-50(56)38-40-66(68)86(53-45-61(77(13,14)15)71(83-27)62(46-53)78(16,17)18)54-47-63(79(19,20)21)72(84-28)64(48-54)80(22,23)24/h29-48H,1-28H3.
What are the key properties of [1-[2-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane?
[1-[2-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane has a molecular weight of 1191.66 g/mol, XLogP of 19.59, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane is sourced from PubChem (CID 10153910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).