[(Z)-3-benzhydrylidene-5-butylundec-4-en-6-ynyl]selanylbenzene

C34H38Se — CID 177486376

IUPAC[(Z)-3-benzhydrylidene-5-butylundec-4-en-6-ynyl]selanylbenzene
SMILESCCCCC#C/C(=C\C(CC[Se]c1ccccc1)=C(c1ccccc1)c1ccccc1)CCCC
InChIInChI=1S/C34H38Se/c1-3-5-7-11-19-29(18-6-4-2)28-32(26-27-35-33-24-16-10-17-25-33)34(30-20-12-8-13-21-30)31-22-14-9-15-23-31/h8-10,12-17,20-25,28H,3-7,18,26-27H2,1-2H3/b29-28-
InChIKeyVGAVGRVRRURJGD-ZIADKAODSA-N
MW525.64 g/mol
LogP8.64
Rot. Bonds12

About [(Z)-3-benzhydrylidene-5-butylundec-4-en-6-ynyl]selanylbenzene

[(Z)-3-benzhydrylidene-5-butylundec-4-en-6-ynyl]selanylbenzene (PubChem CID 177486376) has the molecular formula C34H38Se and a molecular weight of 525.64 g/mol. Its IUPAC name is [(Z)-3-benzhydrylidene-5-butylundec-4-en-6-ynyl]selanylbenzene.

Molecular Properties

Compound Name[(Z)-3-benzhydrylidene-5-butylundec-4-en-6-ynyl]selanylbenzene
PubChem CID177486376
Molecular FormulaC34H38Se
Molecular Weight525.64 g/mol
Exact Mass526.21
IUPAC Name[(Z)-3-benzhydrylidene-5-butylundec-4-en-6-ynyl]selanylbenzene
SMILESCCCCC#C/C(=C\C(CC[Se]c1ccccc1)=C(c1ccccc1)c1ccccc1)CCCC
InChIInChI=1S/C34H38Se/c1-3-5-7-11-19-29(18-6-4-2)28-32(26-27-35-33-24-16-10-17-25-33)34(30-20-12-8-13-21-30)31-22-14-9-15-23-31/h8-10,12-17,20-25,28H,3-7,18,26-27H2,1-2H3/b29-28-
InChIKeyVGAVGRVRRURJGD-ZIADKAODSA-N
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.64
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(Z)-3-benzhydrylidene-5-butylundec-4-en-6-ynyl]selanylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oct-1-en-3-yn-2-ylbenzene
CID 86242377
(NZ)-N-(1-phenylhept-2-ynylidene)hydroxylamine
CID 118955028
(2-methyl-1-phenylhept-1-enyl)benzene
CID 173231724
diethyl (E)-2-hex-1-ynyl-3-phenylselanylbut-2-enedioate
CID 46854029
N-hept-2-ynylbenzamide
CID 102291976
[(2E,4E)-5-butyl-3-hexylundeca-2,4-dien-2-yl]benzene
CID 11257173
1-hex-1-ynyl-2-(phenylselanylmethyl)benzene
CID 102047618
[(Z)-4-methyl-1-phenyloct-3-en-1-yn-3-yl]benzene
CID 102375518
(2Z)-2-(1-phenylethylidene)heptadecanal
CID 142767247
[(E)-hept-2-en-3-yl]benzene
CID 14568345
N-tert-butyl-1-phenylpentadec-2-yn-1-imine
CID 71659442
(Z)-3-ethyl-4,5-diphenylundec-4-en-6-yn-3-ol
CID 11279446

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-benzhydrylidene-5-butylundec-4-en-6-ynyl]selanylbenzene?
The IUPAC name of [(Z)-3-benzhydrylidene-5-butylundec-4-en-6-ynyl]selanylbenzene (CID 177486376) is [(Z)-3-benzhydrylidene-5-butylundec-4-en-6-ynyl]selanylbenzene.
What is the SMILES notation for [(Z)-3-benzhydrylidene-5-butylundec-4-en-6-ynyl]selanylbenzene?
The canonical SMILES for [(Z)-3-benzhydrylidene-5-butylundec-4-en-6-ynyl]selanylbenzene is CCCCC#C/C(=C\C(CC[Se]c1ccccc1)=C(c1ccccc1)c1ccccc1)CCCC.
What is the InChIKey of [(Z)-3-benzhydrylidene-5-butylundec-4-en-6-ynyl]selanylbenzene?
The InChIKey is VGAVGRVRRURJGD-ZIADKAODSA-N. The full InChI is InChI=1S/C34H38Se/c1-3-5-7-11-19-29(18-6-4-2)28-32(26-27-35-33-24-16-10-17-25-33)34(30-20-12-8-13-21-30)31-22-14-9-15-23-31/h8-10,12-17,20-25,28H,3-7,18,26-27H2,1-2H3/b29-28-.
What are the key properties of [(Z)-3-benzhydrylidene-5-butylundec-4-en-6-ynyl]selanylbenzene?
[(Z)-3-benzhydrylidene-5-butylundec-4-en-6-ynyl]selanylbenzene has a molecular weight of 525.64 g/mol, XLogP of 8.64, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-benzhydrylidene-5-butylundec-4-en-6-ynyl]selanylbenzene is sourced from PubChem (CID 177486376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).