4-[[4-bis[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanylphenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanyl]-N-buta-1,3-dienylbenzamide

C50H44Bi2N4O4 — CID 172733908

IUPAC4-[[4-bis[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanylphenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanyl]-N-buta-1,3-dienylbenzamide
SMILESC=CC=CNC(=O)c1ccc([Bi](c2ccc(C(=O)NC=CC=C)cc2)c2ccc([Bi](c3ccc(C(=O)NC=CC=C)cc3)c3ccc(C(=O)NC=CC=C)cc3)cc2)cc1
InChIInChI=1S/4C11H10NO.C6H4.2Bi/c4*1-2-3-9-12-11(13)10-7-5-4-6-8-10;1-2-4-6-5-3-1;;/h4*2-3,5-9H,1H2,(H,12,13);1-2,5-6H;;
InChIKeyIEBHUIGPFIZVPP-UHFFFAOYSA-N
MW1182.89 g/mol
LogP4.44
Rot. Bonds18

About 4-[[4-bis[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanylphenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanyl]-N-buta-1,3-dienylbenzamide

4-[[4-bis[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanylphenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanyl]-N-buta-1,3-dienylbenzamide (PubChem CID 172733908) has the molecular formula C50H44Bi2N4O4 and a molecular weight of 1182.89 g/mol. Its IUPAC name is 4-[[4-bis[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanylphenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanyl]-N-buta-1,3-dienylbenzamide.

Molecular Properties

Compound Name4-[[4-bis[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanylphenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanyl]-N-buta-1,3-dienylbenzamide
PubChem CID172733908
Molecular FormulaC50H44Bi2N4O4
Molecular Weight1182.89 g/mol
Exact Mass1182.30
IUPAC Name4-[[4-bis[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanylphenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanyl]-N-buta-1,3-dienylbenzamide
SMILESC=CC=CNC(=O)c1ccc([Bi](c2ccc(C(=O)NC=CC=C)cc2)c2ccc([Bi](c3ccc(C(=O)NC=CC=C)cc3)c3ccc(C(=O)NC=CC=C)cc3)cc2)cc1
InChIInChI=1S/4C11H10NO.C6H4.2Bi/c4*1-2-3-9-12-11(13)10-7-5-4-6-8-10;1-2-4-6-5-3-1;;/h4*2-3,5-9H,1H2,(H,12,13);1-2,5-6H;;
InChIKeyIEBHUIGPFIZVPP-UHFFFAOYSA-N
XLogP4.44
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms60
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001182.89
LogP ≤ 54.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[4-bis[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanylphenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanyl]-N-buta-1,3-dienylbenzamide with MolForge

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Related Compounds

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CID 269357
Trost Ligand
CID 2734568
2,2'-(Diselane-1,2-diyl)bis(N-benzylbenzamide)
CID 13673594
N'-benzyl-N,N-dicyclohexylterephthalamide
CID 2056359
N-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide
CID 118716205
N-(1-phenylpropan-2-yl)-2-[[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]diselanyl]benzamide
CID 118716206
methyl N-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylethylcarbamoyl)phenyl]ethylcarbamoyl]phenyl]ethylcarbamoyl]phenyl]ethylcarbamoyl]phenyl]ethyl]carbamate
CID 132487939
N-(2-phenylethyl)-2-[2-[[2-[2-[[2-[2-(2-phenylethylcarbamoylamino)ethyl]benzoyl]amino]ethyl]benzoyl]amino]ethyl]benzamide
CID 132487942
N-(2-phenylethyl)-2-[2-[[2-[2-[2-[2-(2-phenylethylcarbamoyl)phenyl]ethylcarbamoylamino]ethyl]benzoyl]amino]ethyl]benzamide
CID 132487943
N-cyclohexyl-2-[[2-(cyclohexylcarbamoyl)phenyl]diselanyl]benzamide
CID 13673584
Terephthalamide, N,N'-bis(1-benzyl-4-phenyl-4-piperidylmethyl)-
CID 202534
1-N,4-N-bis[(2S)-6-amino-1-oxo-1-[(4-phenylphenyl)methylamino]hexan-2-yl]benzene-1,4-dicarboxamide
CID 162662576

Frequently Asked Questions

What is the IUPAC name of 4-[[4-bis[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanylphenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanyl]-N-buta-1,3-dienylbenzamide?
The IUPAC name of 4-[[4-bis[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanylphenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanyl]-N-buta-1,3-dienylbenzamide (CID 172733908) is 4-[[4-bis[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanylphenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanyl]-N-buta-1,3-dienylbenzamide.
What is the SMILES notation for 4-[[4-bis[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanylphenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanyl]-N-buta-1,3-dienylbenzamide?
The canonical SMILES for 4-[[4-bis[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanylphenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanyl]-N-buta-1,3-dienylbenzamide is C=CC=CNC(=O)c1ccc([Bi](c2ccc(C(=O)NC=CC=C)cc2)c2ccc([Bi](c3ccc(C(=O)NC=CC=C)cc3)c3ccc(C(=O)NC=CC=C)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-bis[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanylphenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanyl]-N-buta-1,3-dienylbenzamide?
The InChIKey is IEBHUIGPFIZVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H10NO.C6H4.2Bi/c4*1-2-3-9-12-11(13)10-7-5-4-6-8-10;1-2-4-6-5-3-1;;/h4*2-3,5-9H,1H2,(H,12,13);1-2,5-6H;;.
What are the key properties of 4-[[4-bis[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanylphenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanyl]-N-buta-1,3-dienylbenzamide?
4-[[4-bis[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanylphenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanyl]-N-buta-1,3-dienylbenzamide has a molecular weight of 1182.89 g/mol, XLogP of 4.44, 18 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-bis[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanylphenyl]-[4-(buta-1,3-dienylcarbamoyl)phenyl]bismuthanyl]-N-buta-1,3-dienylbenzamide is sourced from PubChem (CID 172733908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).