diphenyl-[(Z)-2-phenyl-1,2-di(piperidin-1-yl)ethenyl]borane

C30H35BN2 — CID 132549916

IUPACdiphenyl-[(Z)-2-phenyl-1,2-di(piperidin-1-yl)ethenyl]borane
SMILESc1ccc(B(/C(=C(\c2ccccc2)N2CCCCC2)N2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C30H35BN2/c1-6-16-26(17-7-1)29(32-22-12-4-13-23-32)30(33-24-14-5-15-25-33)31(27-18-8-2-9-19-27)28-20-10-3-11-21-28/h1-3,6-11,16-21H,4-5,12-15,22-25H2/b30-29-
InChIKeyHNNGTTLNQYZXAH-FLWNBWAVSA-N
MW434.44 g/mol
LogP5.18
Rot. Bonds6

About diphenyl-[(Z)-2-phenyl-1,2-di(piperidin-1-yl)ethenyl]borane

diphenyl-[(Z)-2-phenyl-1,2-di(piperidin-1-yl)ethenyl]borane (PubChem CID 132549916) has the molecular formula C30H35BN2 and a molecular weight of 434.44 g/mol. Its IUPAC name is diphenyl-[(Z)-2-phenyl-1,2-di(piperidin-1-yl)ethenyl]borane.

Molecular Properties

Compound Namediphenyl-[(Z)-2-phenyl-1,2-di(piperidin-1-yl)ethenyl]borane
PubChem CID132549916
Molecular FormulaC30H35BN2
Molecular Weight434.44 g/mol
Exact Mass434.29
IUPAC Namediphenyl-[(Z)-2-phenyl-1,2-di(piperidin-1-yl)ethenyl]borane
SMILESc1ccc(B(/C(=C(\c2ccccc2)N2CCCCC2)N2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C30H35BN2/c1-6-16-26(17-7-1)29(32-22-12-4-13-23-32)30(33-24-14-5-15-25-33)31(27-18-8-2-9-19-27)28-20-10-3-11-21-28/h1-3,6-11,16-21H,4-5,12-15,22-25H2/b30-29-
InChIKeyHNNGTTLNQYZXAH-FLWNBWAVSA-N
XLogP5.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.44
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 15190945
(E)-3-phenyl-3-pyrrolidin-1-ylprop-2-enenitrile
CID 10655579
phenyl(piperidin-1-yl)methanone;sulfuryl dichloride
CID 174601511
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
(E)-2-phenyl-2-piperidin-1-ylethenediazonium
CID 134983730
(E)-1-(azepan-1-yl)-3-phenylbut-2-en-1-one
CID 110297075
(Z)-1,3-diphenyl-3-piperidin-1-ylprop-2-en-1-one
CID 6377486
(E)-3-(azepan-1-yl)-1,3-diphenylprop-2-en-1-one
CID 11324202
1-phenyl-2-pyrrolidin-1-yl-2-sulfanylideneethanone
CID 102205481
(NZ)-N-[amino(phenyl)methylidene]-N'-phenylpiperidine-1-carboximidamide
CID 23459662

Frequently Asked Questions

What is the IUPAC name of diphenyl-[(Z)-2-phenyl-1,2-di(piperidin-1-yl)ethenyl]borane?
The IUPAC name of diphenyl-[(Z)-2-phenyl-1,2-di(piperidin-1-yl)ethenyl]borane (CID 132549916) is diphenyl-[(Z)-2-phenyl-1,2-di(piperidin-1-yl)ethenyl]borane.
What is the SMILES notation for diphenyl-[(Z)-2-phenyl-1,2-di(piperidin-1-yl)ethenyl]borane?
The canonical SMILES for diphenyl-[(Z)-2-phenyl-1,2-di(piperidin-1-yl)ethenyl]borane is c1ccc(B(/C(=C(\c2ccccc2)N2CCCCC2)N2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of diphenyl-[(Z)-2-phenyl-1,2-di(piperidin-1-yl)ethenyl]borane?
The InChIKey is HNNGTTLNQYZXAH-FLWNBWAVSA-N. The full InChI is InChI=1S/C30H35BN2/c1-6-16-26(17-7-1)29(32-22-12-4-13-23-32)30(33-24-14-5-15-25-33)31(27-18-8-2-9-19-27)28-20-10-3-11-21-28/h1-3,6-11,16-21H,4-5,12-15,22-25H2/b30-29-.
What are the key properties of diphenyl-[(Z)-2-phenyl-1,2-di(piperidin-1-yl)ethenyl]borane?
diphenyl-[(Z)-2-phenyl-1,2-di(piperidin-1-yl)ethenyl]borane has a molecular weight of 434.44 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(Z)-2-phenyl-1,2-di(piperidin-1-yl)ethenyl]borane is sourced from PubChem (CID 132549916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).