[2-[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]phenyl]-diphenylphosphane

C30H26NOP — CID 10527400

IUPAC[2-[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]phenyl]-diphenylphosphane
SMILESCC1(C)c2ccccc2[C@@H]2OC(c3ccccc3P(c3ccccc3)c3ccccc3)=N[C@@H]21
InChIInChI=1S/C30H26NOP/c1-30(2)25-19-11-9-17-23(25)27-28(30)31-29(32-27)24-18-10-12-20-26(24)33(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h3-20,27-28H,1-2H3/t27-,28-/m0/s1
InChIKeyXLJCSKHVWKPAMV-NSOVKSMOSA-N
MW447.52 g/mol
LogP5.62
Rot. Bonds4

About [2-[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]phenyl]-diphenylphosphane

[2-[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]phenyl]-diphenylphosphane (PubChem CID 10527400) has the molecular formula C30H26NOP and a molecular weight of 447.52 g/mol. Its IUPAC name is [2-[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]phenyl]-diphenylphosphane
PubChem CID10527400
Molecular FormulaC30H26NOP
Molecular Weight447.52 g/mol
Exact Mass447.18
IUPAC Name[2-[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]phenyl]-diphenylphosphane
SMILESCC1(C)c2ccccc2[C@@H]2OC(c3ccccc3P(c3ccccc3)c3ccccc3)=N[C@@H]21
InChIInChI=1S/C30H26NOP/c1-30(2)25-19-11-9-17-23(25)27-28(30)31-29(32-27)24-18-10-12-20-26(24)33(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h3-20,27-28H,1-2H3/t27-,28-/m0/s1
InChIKeyXLJCSKHVWKPAMV-NSOVKSMOSA-N
XLogP5.62
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.52
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]phenyl]-diphenylphosphane?
The IUPAC name of [2-[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]phenyl]-diphenylphosphane (CID 10527400) is [2-[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]phenyl]-diphenylphosphane.
What is the SMILES notation for [2-[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]phenyl]-diphenylphosphane?
The canonical SMILES for [2-[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]phenyl]-diphenylphosphane is CC1(C)c2ccccc2[C@@H]2OC(c3ccccc3P(c3ccccc3)c3ccccc3)=N[C@@H]21.
What is the InChIKey of [2-[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]phenyl]-diphenylphosphane?
The InChIKey is XLJCSKHVWKPAMV-NSOVKSMOSA-N. The full InChI is InChI=1S/C30H26NOP/c1-30(2)25-19-11-9-17-23(25)27-28(30)31-29(32-27)24-18-10-12-20-26(24)33(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h3-20,27-28H,1-2H3/t27-,28-/m0/s1.
What are the key properties of [2-[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]phenyl]-diphenylphosphane?
[2-[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]phenyl]-diphenylphosphane has a molecular weight of 447.52 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]phenyl]-diphenylphosphane is sourced from PubChem (CID 10527400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).