(7R,9S)-2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane

C22H26B2 — CID 140958135

IUPAC(7R,9S)-2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane
SMILESc1ccc(B2C3CCC[C@@H]3B(c3ccccc3)[C@@H]3CCCC23)cc1
InChIInChI=1S/C22H26B2/c1-3-9-17(10-4-1)23-19-13-7-15-21(19)24(18-11-5-2-6-12-18)22-16-8-14-20(22)23/h1-6,9-12,19-22H,7-8,13-16H2/t19-,20+,21?,22?
InChIKeyLYKRGDKQOJYAEW-FDRBHKFBSA-N
MW312.07 g/mol
LogP4.65
Rot. Bonds2

About (7R,9S)-2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane

(7R,9S)-2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane (PubChem CID 140958135) has the molecular formula C22H26B2 and a molecular weight of 312.07 g/mol. Its IUPAC name is (7R,9S)-2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane.

Molecular Properties

Compound Name(7R,9S)-2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane
PubChem CID140958135
Molecular FormulaC22H26B2
Molecular Weight312.07 g/mol
Exact Mass312.22
IUPAC Name(7R,9S)-2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane
SMILESc1ccc(B2C3CCC[C@@H]3B(c3ccccc3)[C@@H]3CCCC23)cc1
InChIInChI=1S/C22H26B2/c1-3-9-17(10-4-1)23-19-13-7-15-21(19)24(18-11-5-2-6-12-18)22-16-8-14-20(22)23/h1-6,9-12,19-22H,7-8,13-16H2/t19-,20+,21?,22?
InChIKeyLYKRGDKQOJYAEW-FDRBHKFBSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.07
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7R,9S)-2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane?
The IUPAC name of (7R,9S)-2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane (CID 140958135) is (7R,9S)-2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane.
What is the SMILES notation for (7R,9S)-2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane?
The canonical SMILES for (7R,9S)-2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane is c1ccc(B2C3CCC[C@@H]3B(c3ccccc3)[C@@H]3CCCC23)cc1.
What is the InChIKey of (7R,9S)-2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane?
The InChIKey is LYKRGDKQOJYAEW-FDRBHKFBSA-N. The full InChI is InChI=1S/C22H26B2/c1-3-9-17(10-4-1)23-19-13-7-15-21(19)24(18-11-5-2-6-12-18)22-16-8-14-20(22)23/h1-6,9-12,19-22H,7-8,13-16H2/t19-,20+,21?,22?.
What are the key properties of (7R,9S)-2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane?
(7R,9S)-2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane has a molecular weight of 312.07 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,9S)-2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane is sourced from PubChem (CID 140958135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).