[1-[(1S,2S)-2-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane

C44H40OP2 — CID 134863950

IUPAC[1-[(1S,2S)-2-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
SMILESO=P(c1ccccc1)(c1ccccc1)[C@H]1CCc2ccccc2[C@H]1c1c(P(c2ccccc2)c2ccccc2)ccc2c1CCCC2
InChIInChI=1S/C44H40OP2/c45-47(37-23-9-3-10-24-37,38-25-11-4-12-26-38)42-32-30-34-18-14-16-28-40(34)44(42)43-39-27-15-13-17-33(39)29-31-41(43)46(35-19-5-1-6-20-35)36-21-7-2-8-22-36/h1-12,14,16,18-26,28-29,31,42,44H,13,15,17,27,30,32H2/t42-,44+/m0/s1
InChIKeyLSACMYCARVUGBA-KOHORPAVSA-N
MW646.75 g/mol
LogP8.78
Rot. Bonds7

About [1-[(1S,2S)-2-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane

[1-[(1S,2S)-2-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane (PubChem CID 134863950) has the molecular formula C44H40OP2 and a molecular weight of 646.75 g/mol. Its IUPAC name is [1-[(1S,2S)-2-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[1-[(1S,2S)-2-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
PubChem CID134863950
Molecular FormulaC44H40OP2
Molecular Weight646.75 g/mol
Exact Mass646.26
IUPAC Name[1-[(1S,2S)-2-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
SMILESO=P(c1ccccc1)(c1ccccc1)[C@H]1CCc2ccccc2[C@H]1c1c(P(c2ccccc2)c2ccccc2)ccc2c1CCCC2
InChIInChI=1S/C44H40OP2/c45-47(37-23-9-3-10-24-37,38-25-11-4-12-26-38)42-32-30-34-18-14-16-28-40(34)44(42)43-39-27-15-13-17-33(39)29-31-41(43)46(35-19-5-1-6-20-35)36-21-7-2-8-22-36/h1-12,14,16,18-26,28-29,31,42,44H,13,15,17,27,30,32H2/t42-,44+/m0/s1
InChIKeyLSACMYCARVUGBA-KOHORPAVSA-N
XLogP8.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.75
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[1-[(1R)-2-bis(4-methylphenyl)phosphanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(4-methylphenyl)phosphane
CID 59574949
[1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
CID 157063230
1-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalene
CID 102203272
[1-(2-diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane;rhodium;tetrafluoroborate
CID 45258076
dipotassium;1-[(1R,2R)-2-sulfonato-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonate
CID 140554354
bis([1-[2-bis(3-methylphenyl)phosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(3-methylphenyl)phosphane);[1-(2-diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
CID 158761119
1-[(1R)-2-sulfo-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonic acid
CID 59510758
[1-(6-diphenylphosphanyl-2,3-diethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
CID 58567960
bis((1Z,5Z)-cycloocta-1,5-diene);[1-(2-diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane;rhodium;tetrafluoroborate
CID 135084830
chlororuthenium(1+);[1-(2-diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane;1-methyl-4-propan-2-ylcyclohexane;chloride
CID 117064377
(1R)-N,8-bis(diphenylphosphanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 71608542
(19-diphenylphosphanyl-3-tricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaenyl)-diphenylphosphane
CID 134992058

Frequently Asked Questions

What is the IUPAC name of [1-[(1S,2S)-2-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane?
The IUPAC name of [1-[(1S,2S)-2-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane (CID 134863950) is [1-[(1S,2S)-2-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane.
What is the SMILES notation for [1-[(1S,2S)-2-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane?
The canonical SMILES for [1-[(1S,2S)-2-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane is O=P(c1ccccc1)(c1ccccc1)[C@H]1CCc2ccccc2[C@H]1c1c(P(c2ccccc2)c2ccccc2)ccc2c1CCCC2.
What is the InChIKey of [1-[(1S,2S)-2-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane?
The InChIKey is LSACMYCARVUGBA-KOHORPAVSA-N. The full InChI is InChI=1S/C44H40OP2/c45-47(37-23-9-3-10-24-37,38-25-11-4-12-26-38)42-32-30-34-18-14-16-28-40(34)44(42)43-39-27-15-13-17-33(39)29-31-41(43)46(35-19-5-1-6-20-35)36-21-7-2-8-22-36/h1-12,14,16,18-26,28-29,31,42,44H,13,15,17,27,30,32H2/t42-,44+/m0/s1.
What are the key properties of [1-[(1S,2S)-2-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane?
[1-[(1S,2S)-2-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane has a molecular weight of 646.75 g/mol, XLogP of 8.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1S,2S)-2-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane is sourced from PubChem (CID 134863950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).