N-[4-[[3,5-bis[bis[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-2-methylprop-2-enamide

C66H63Bi3N6O6 — CID 172831017

IUPACN-[4-[[3,5-bis[bis[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc([Bi](c2ccc(NC(=O)C(=C)C)cc2)c2cc([Bi](c3ccc(NC(=O)C(=C)C)cc3)c3ccc(NC(=O)C(=C)C)cc3)cc([Bi](c3ccc(NC(=O)C(=C)C)cc3)c3ccc(NC(=O)C(=C)C)cc3)c2)cc1
InChIInChI=1S/6C10H10NO.C6H3.3Bi/c6*1-8(2)10(12)11-9-6-4-3-5-7-9;1-2-4-6-5-3-1;;;/h6*4-7H,1H2,2H3,(H,11,12);1,4-5H;;;
InChIKeyVMYFTKCPUZXMQD-UHFFFAOYSA-N
MW1663.21 g/mol
LogP6.32
Rot. Bonds21

About N-[4-[[3,5-bis[bis[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-2-methylprop-2-enamide

N-[4-[[3,5-bis[bis[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-2-methylprop-2-enamide (PubChem CID 172831017) has the molecular formula C66H63Bi3N6O6 and a molecular weight of 1663.21 g/mol. Its IUPAC name is N-[4-[[3,5-bis[bis[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[4-[[3,5-bis[bis[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-2-methylprop-2-enamide
PubChem CID172831017
Molecular FormulaC66H63Bi3N6O6
Molecular Weight1663.21 g/mol
Exact Mass1662.42
IUPAC NameN-[4-[[3,5-bis[bis[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc([Bi](c2ccc(NC(=O)C(=C)C)cc2)c2cc([Bi](c3ccc(NC(=O)C(=C)C)cc3)c3ccc(NC(=O)C(=C)C)cc3)cc([Bi](c3ccc(NC(=O)C(=C)C)cc3)c3ccc(NC(=O)C(=C)C)cc3)c2)cc1
InChIInChI=1S/6C10H10NO.C6H3.3Bi/c6*1-8(2)10(12)11-9-6-4-3-5-7-9;1-2-4-6-5-3-1;;;/h6*4-7H,1H2,2H3,(H,11,12);1,4-5H;;;
InChIKeyVMYFTKCPUZXMQD-UHFFFAOYSA-N
XLogP6.32
TPSA174.60 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001663.21
LogP ≤ 56.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-[[3,5-bis[bis[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-2-methylprop-2-enamide with MolForge

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Related Compounds

2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933208
N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide
CID 102428329
N-(3,4-dichlorophenyl)-2-methylprop-2-enamide
CID 16560
tris[4-(2-methylprop-2-enoylamino)phenyl] stiborite
CID 172860369
N-[4-[N-acetyl-4-(N-acetylanilino)anilino]phenyl]-2-methylprop-2-enamide
CID 101072014
methylboronic acid;2-methyl-N-phenylprop-2-enamide
CID 159528809
[4-(2-methylprop-2-enoylamino)phenoxy]boronic acid
CID 139688693
N-(4-cyanophenyl)-2-methylprop-2-enamide;molecular hydrogen
CID 142912025
N-[4-(4-chlorophenoxy)phenyl]-2-methylprop-2-enamide
CID 139520073
[4-(2-methylprop-2-enoylamino)phenyl]sulfonyl-methylsulfonylazanide
CID 101364771
N-(3-methoxy-4-methylphenyl)-2-methylprop-2-enamide
CID 134123045
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylprop-2-enamide
CID 90480693

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3,5-bis[bis[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-2-methylprop-2-enamide?
The IUPAC name of N-[4-[[3,5-bis[bis[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-2-methylprop-2-enamide (CID 172831017) is N-[4-[[3,5-bis[bis[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[4-[[3,5-bis[bis[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[4-[[3,5-bis[bis[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-2-methylprop-2-enamide is C=C(C)C(=O)Nc1ccc([Bi](c2ccc(NC(=O)C(=C)C)cc2)c2cc([Bi](c3ccc(NC(=O)C(=C)C)cc3)c3ccc(NC(=O)C(=C)C)cc3)cc([Bi](c3ccc(NC(=O)C(=C)C)cc3)c3ccc(NC(=O)C(=C)C)cc3)c2)cc1.
What is the InChIKey of N-[4-[[3,5-bis[bis[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-2-methylprop-2-enamide?
The InChIKey is VMYFTKCPUZXMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/6C10H10NO.C6H3.3Bi/c6*1-8(2)10(12)11-9-6-4-3-5-7-9;1-2-4-6-5-3-1;;;/h6*4-7H,1H2,2H3,(H,11,12);1,4-5H;;;.
What are the key properties of N-[4-[[3,5-bis[bis[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-2-methylprop-2-enamide?
N-[4-[[3,5-bis[bis[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-2-methylprop-2-enamide has a molecular weight of 1663.21 g/mol, XLogP of 6.32, 21 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3,5-bis[bis[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-2-methylprop-2-enamide is sourced from PubChem (CID 172831017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).