bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-phenylphosphane

C24H31P — CID 102030256

IUPACbis(3-tert-butylcyclopenta-2,4-dien-1-yl)-phenylphosphane
SMILESCC(C)(C)C1=CC(P(c2ccccc2)C2C=CC(C(C)(C)C)=C2)C=C1
InChIInChI=1S/C24H31P/c1-23(2,3)18-12-14-21(16-18)25(20-10-8-7-9-11-20)22-15-13-19(17-22)24(4,5)6/h7-17,21-22H,1-6H3
InChIKeyNHYMUKWLAXQMRH-UHFFFAOYSA-N
MW350.49 g/mol
LogP6.62
Rot. Bonds3

About bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-phenylphosphane

bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-phenylphosphane (PubChem CID 102030256) has the molecular formula C24H31P and a molecular weight of 350.49 g/mol. Its IUPAC name is bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-phenylphosphane.

Molecular Properties

Compound Namebis(3-tert-butylcyclopenta-2,4-dien-1-yl)-phenylphosphane
PubChem CID102030256
Molecular FormulaC24H31P
Molecular Weight350.49 g/mol
Exact Mass350.22
IUPAC Namebis(3-tert-butylcyclopenta-2,4-dien-1-yl)-phenylphosphane
SMILESCC(C)(C)C1=CC(P(c2ccccc2)C2C=CC(C(C)(C)C)=C2)C=C1
InChIInChI=1S/C24H31P/c1-23(2,3)18-12-14-21(16-18)25(20-10-8-7-9-11-20)22-15-13-19(17-22)24(4,5)6/h7-17,21-22H,1-6H3
InChIKeyNHYMUKWLAXQMRH-UHFFFAOYSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3-tert-butylcyclopenta-2,4-dien-1-yl)-diphenylphosphane
CID 15822183
[1-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethyl]benzene
CID 141345894
9-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
CID 100964973
N-[[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylpropan-2-amine
CID 141067348
2,2-dimethylpropane;triphenylphosphane
CID 143924519
N-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethoxysilyl]-2-methylpropan-2-amine
CID 139699532
3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-carbazole
CID 155154681
5-tert-butyl-2-methoxy-3-phenyl-3H-azepine
CID 101265558
(3-tert-butyl-5-diphenylphosphanylcyclopenta-1,4-dien-1-yl)-diphenylphosphane
CID 15495111
trimethyl-[3-(2-phenylpropan-2-yl)cyclopenta-2,4-dien-1-yl]silane
CID 141139818
(3-tert-butylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane
CID 140852310
2-[2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane
CID 23403229

Frequently Asked Questions

What is the IUPAC name of bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-phenylphosphane?
The IUPAC name of bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-phenylphosphane (CID 102030256) is bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-phenylphosphane.
What is the SMILES notation for bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-phenylphosphane?
The canonical SMILES for bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-phenylphosphane is CC(C)(C)C1=CC(P(c2ccccc2)C2C=CC(C(C)(C)C)=C2)C=C1.
What is the InChIKey of bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-phenylphosphane?
The InChIKey is NHYMUKWLAXQMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31P/c1-23(2,3)18-12-14-21(16-18)25(20-10-8-7-9-11-20)22-15-13-19(17-22)24(4,5)6/h7-17,21-22H,1-6H3.
What are the key properties of bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-phenylphosphane?
bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-phenylphosphane has a molecular weight of 350.49 g/mol, XLogP of 6.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-phenylphosphane is sourced from PubChem (CID 102030256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).