(4R)-2,3,4,5-tetramethyl-6-[(4S)-3,5,6-trimethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene

C19H26P2 — CID 59110897

IUPAC(4R)-2,3,4,5-tetramethyl-6-[(4S)-3,5,6-trimethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene
SMILESCC1=C(C)[P@@]2C[C@@H]1C(C)=C2C1=C(C)[C@]2(C)C[P@]1C(C)=C2C
InChIInChI=1S/C19H26P2/c1-10-14(5)20-8-16(10)11(2)17(20)18-13(4)19(7)9-21(18)15(6)12(19)3/h16H,8-9H2,1-7H3/t16-,19+,20+,21+/m0/s1
InChIKeyYHOXOAJTAJHXOO-LLUDDFSJSA-N
MW316.37 g/mol
LogP6.76
Rot. Bonds1

About (4R)-2,3,4,5-tetramethyl-6-[(4S)-3,5,6-trimethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene

(4R)-2,3,4,5-tetramethyl-6-[(4S)-3,5,6-trimethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene (PubChem CID 59110897) has the molecular formula C19H26P2 and a molecular weight of 316.37 g/mol. Its IUPAC name is (4R)-2,3,4,5-tetramethyl-6-[(4S)-3,5,6-trimethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name(4R)-2,3,4,5-tetramethyl-6-[(4S)-3,5,6-trimethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene
PubChem CID59110897
Molecular FormulaC19H26P2
Molecular Weight316.37 g/mol
Exact Mass316.15
IUPAC Name(4R)-2,3,4,5-tetramethyl-6-[(4S)-3,5,6-trimethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene
SMILESCC1=C(C)[P@@]2C[C@@H]1C(C)=C2C1=C(C)[C@]2(C)C[P@]1C(C)=C2C
InChIInChI=1S/C19H26P2/c1-10-14(5)20-8-16(10)11(2)17(20)18-13(4)19(7)9-21(18)15(6)12(19)3/h16H,8-9H2,1-7H3/t16-,19+,20+,21+/m0/s1
InChIKeyYHOXOAJTAJHXOO-LLUDDFSJSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.37
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4R)-2,3,4,5-tetramethyl-6-[(4S)-3,5,6-trimethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-2,3,4,5-tetramethyl-6-[(4S)-3,5,6-trimethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of (4R)-2,3,4,5-tetramethyl-6-[(4S)-3,5,6-trimethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene (CID 59110897) is (4R)-2,3,4,5-tetramethyl-6-[(4S)-3,5,6-trimethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for (4R)-2,3,4,5-tetramethyl-6-[(4S)-3,5,6-trimethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for (4R)-2,3,4,5-tetramethyl-6-[(4S)-3,5,6-trimethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene is CC1=C(C)[P@@]2C[C@@H]1C(C)=C2C1=C(C)[C@]2(C)C[P@]1C(C)=C2C.
What is the InChIKey of (4R)-2,3,4,5-tetramethyl-6-[(4S)-3,5,6-trimethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is YHOXOAJTAJHXOO-LLUDDFSJSA-N. The full InChI is InChI=1S/C19H26P2/c1-10-14(5)20-8-16(10)11(2)17(20)18-13(4)19(7)9-21(18)15(6)12(19)3/h16H,8-9H2,1-7H3/t16-,19+,20+,21+/m0/s1.
What are the key properties of (4R)-2,3,4,5-tetramethyl-6-[(4S)-3,5,6-trimethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene?
(4R)-2,3,4,5-tetramethyl-6-[(4S)-3,5,6-trimethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 316.37 g/mol, XLogP of 6.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,3,4,5-tetramethyl-6-[(4S)-3,5,6-trimethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 59110897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).