[(1R,2R,3S,4S)-3-(diphenylphosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane

C33H34P2 — CID 13296398

IUPAC[(1R,2R,3S,4S)-3-(diphenylphosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane
SMILESc1ccc(P(C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H34P2/c1-5-13-28(14-6-1)34(29-15-7-2-8-16-29)24-32-26-21-22-27(23-26)33(32)25-35(30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-20,26-27,32-33H,21-25H2/t26-,27+,32-,33+
InChIKeyYZOJQTFUSMOBTF-XZYRDJQFSA-N
MW492.58 g/mol
LogP6.91
Rot. Bonds8

About [(1R,2R,3S,4S)-3-(diphenylphosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane

[(1R,2R,3S,4S)-3-(diphenylphosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane (PubChem CID 13296398) has the molecular formula C33H34P2 and a molecular weight of 492.58 g/mol. Its IUPAC name is [(1R,2R,3S,4S)-3-(diphenylphosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[(1R,2R,3S,4S)-3-(diphenylphosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane
PubChem CID13296398
Molecular FormulaC33H34P2
Molecular Weight492.58 g/mol
Exact Mass492.21
IUPAC Name[(1R,2R,3S,4S)-3-(diphenylphosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane
SMILESc1ccc(P(C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H34P2/c1-5-13-28(14-6-1)34(29-15-7-2-8-16-29)24-32-26-21-22-27(23-26)33(32)25-35(30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-20,26-27,32-33H,21-25H2/t26-,27+,32-,33+
InChIKeyYZOJQTFUSMOBTF-XZYRDJQFSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(1R,2R,3S,4S)-3-(diphenylphosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane with MolForge

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Related Compounds

diphenyl-[[(1S,2S,3R)-2,3,4-tris(diphenylphosphanylmethyl)cyclopentyl]methyl]phosphane
CID 134865357
[3-[bis[4-(trifluoromethyl)phenyl]phosphanylmethyl]-2-bicyclo[2.2.1]heptanyl]methyl-bis[4-(trifluoromethyl)phenyl]phosphane
CID 57108669
[3-(diphenylphosphanylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methyl-diphenylphosphane
CID 57017880
[(1S,2R,3R,4R)-3-[bis(3,5-difluorophenyl)phosphanylmethyl]-2-bicyclo[2.2.1]heptanyl]methyl-bis(3,5-difluorophenyl)phosphane
CID 10865143
(2S,3S,4R)-2-(diphenylphosphanylmethyl)oxane-3,4-diol
CID 101017151
diphenyl(4-tricyclo[5.2.1.02,6]decanyl)phosphane
CID 117070680
diphenyl-[[(2S)-piperidin-2-yl]methyl]phosphane
CID 101469589
[(1R,2S,3S,4S)-3-phenyl-2-bicyclo[2.2.1]heptanyl]methanamine
CID 10633650
[1,2-bis(diphenylphosphanylmethyl)cyclopropyl]methyl-diphenylphosphane
CID 91153135
2-[3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane
CID 23403234
[2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-diphenylphosphane
CID 53427371
diphenylphosphanylmethyl(diphenyl)phosphane;ruthenium
CID 87761562

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3S,4S)-3-(diphenylphosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane?
The IUPAC name of [(1R,2R,3S,4S)-3-(diphenylphosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane (CID 13296398) is [(1R,2R,3S,4S)-3-(diphenylphosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane.
What is the SMILES notation for [(1R,2R,3S,4S)-3-(diphenylphosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane?
The canonical SMILES for [(1R,2R,3S,4S)-3-(diphenylphosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane is c1ccc(P(C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(1R,2R,3S,4S)-3-(diphenylphosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane?
The InChIKey is YZOJQTFUSMOBTF-XZYRDJQFSA-N. The full InChI is InChI=1S/C33H34P2/c1-5-13-28(14-6-1)34(29-15-7-2-8-16-29)24-32-26-21-22-27(23-26)33(32)25-35(30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-20,26-27,32-33H,21-25H2/t26-,27+,32-,33+.
What are the key properties of [(1R,2R,3S,4S)-3-(diphenylphosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane?
[(1R,2R,3S,4S)-3-(diphenylphosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane has a molecular weight of 492.58 g/mol, XLogP of 6.91, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3S,4S)-3-(diphenylphosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane is sourced from PubChem (CID 13296398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).