[(2,2-dimethyl-4,4-diphenylbut-3-enyl)-iodoboranyl]phosphane

C18H21BIP — CID 21027985

IUPAC[(2,2-dimethyl-4,4-diphenylbut-3-enyl)-iodoboranyl]phosphane
SMILESCC(C)(C=C(c1ccccc1)c1ccccc1)CB(P)I
InChIInChI=1S/C18H21BIP/c1-18(2,14-19(20)21)13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13H,14,21H2,1-2H3
InChIKeyJTPIHAIORYQBJN-UHFFFAOYSA-N
MW406.06 g/mol
LogP5.94
Rot. Bonds5

About [(2,2-dimethyl-4,4-diphenylbut-3-enyl)-iodoboranyl]phosphane

[(2,2-dimethyl-4,4-diphenylbut-3-enyl)-iodoboranyl]phosphane (PubChem CID 21027985) has the molecular formula C18H21BIP and a molecular weight of 406.06 g/mol. Its IUPAC name is [(2,2-dimethyl-4,4-diphenylbut-3-enyl)-iodoboranyl]phosphane.

Molecular Properties

Compound Name[(2,2-dimethyl-4,4-diphenylbut-3-enyl)-iodoboranyl]phosphane
PubChem CID21027985
Molecular FormulaC18H21BIP
Molecular Weight406.06 g/mol
Exact Mass406.05
IUPAC Name[(2,2-dimethyl-4,4-diphenylbut-3-enyl)-iodoboranyl]phosphane
SMILESCC(C)(C=C(c1ccccc1)c1ccccc1)CB(P)I
InChIInChI=1S/C18H21BIP/c1-18(2,14-19(20)21)13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13H,14,21H2,1-2H3
InChIKeyJTPIHAIORYQBJN-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.06
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4,4-diphenylbut-3-en-2-amine
CID 11118093
(3,3-difluoro-1-phenylbut-1-enyl)benzene
CID 174901374
(NE)-N-[2-(2,2-diphenylethenyl)-2-methyl-4,4-diphenylbut-3-enylidene]hydroxylamine
CID 11743387
[[2,2-dimethyl-4-phenyl-4-[4-(1-phenylethenyl)phenyl]pentyl]-iodoboranyl]phosphane
CID 21027991
boric acid;2,3-dimethylbutane-2,3-diol;1,2-diphenylethenylbenzene
CID 175481277
1-bromo-4-[(E)-2-bromo-1-phenylethenyl]benzene
CID 44719904
1,1-bis(1-methylimidazol-2-yl)-3,3-diphenylprop-2-en-1-ol
CID 171986160
1-bromo-4-[(Z)-1-phenylprop-1-enyl]benzene
CID 71096941
(E)-3,3-dimethyl-1-phenylbut-1-en-1-amine
CID 67619754
1-[(Z)-4-bromo-3,3,4,4-tetrafluoro-1-phenylbut-1-enyl]-4-methylbenzene
CID 132943042
[(E)-(2,2-dimethyl-4,4-diphenylbut-3-enylidene)amino] benzoate
CID 15636099
(E)-2-ethenyl-N-methoxy-2-methyl-4,4-diphenylbut-3-en-1-imine
CID 10979181

Frequently Asked Questions

What is the IUPAC name of [(2,2-dimethyl-4,4-diphenylbut-3-enyl)-iodoboranyl]phosphane?
The IUPAC name of [(2,2-dimethyl-4,4-diphenylbut-3-enyl)-iodoboranyl]phosphane (CID 21027985) is [(2,2-dimethyl-4,4-diphenylbut-3-enyl)-iodoboranyl]phosphane.
What is the SMILES notation for [(2,2-dimethyl-4,4-diphenylbut-3-enyl)-iodoboranyl]phosphane?
The canonical SMILES for [(2,2-dimethyl-4,4-diphenylbut-3-enyl)-iodoboranyl]phosphane is CC(C)(C=C(c1ccccc1)c1ccccc1)CB(P)I.
What is the InChIKey of [(2,2-dimethyl-4,4-diphenylbut-3-enyl)-iodoboranyl]phosphane?
The InChIKey is JTPIHAIORYQBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BIP/c1-18(2,14-19(20)21)13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13H,14,21H2,1-2H3.
What are the key properties of [(2,2-dimethyl-4,4-diphenylbut-3-enyl)-iodoboranyl]phosphane?
[(2,2-dimethyl-4,4-diphenylbut-3-enyl)-iodoboranyl]phosphane has a molecular weight of 406.06 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,2-dimethyl-4,4-diphenylbut-3-enyl)-iodoboranyl]phosphane is sourced from PubChem (CID 21027985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).