carbanide;(Z)-1-(3-hydroxybenzene-4-id-1-yl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;uranium(2+)

C28H29NO7U — CID 163792781

IUPACcarbanide;(Z)-1-(3-hydroxybenzene-4-id-1-yl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;uranium(2+)
SMILESCOc1cc(/C=C\c2cc(O)c(OC)c(N/C=C\C(=O)c3cc[c-]c(O)c3)c2)cc(OC)c1OC.[CH3-].[U+2]
InChIInChI=1S/C27H26NO7.CH3.U/c1-32-24-14-18(15-25(33-2)27(24)35-4)9-8-17-12-21(26(34-3)23(31)13-17)28-11-10-22(30)19-6-5-7-20(29)16-19;;/h5-6,8-16,28-29,31H,1-4H3;1H3;/q2*-1;+2/b9-8-,11-10-;;
InChIKeyGBJHMLVVSIHZFB-CFJKUCMYSA-N
MW729.57 g/mol
LogP5.36
Rot. Bonds10

About carbanide;(Z)-1-(3-hydroxybenzene-4-id-1-yl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;uranium(2+)

carbanide;(Z)-1-(3-hydroxybenzene-4-id-1-yl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;uranium(2+) (PubChem CID 163792781) has the molecular formula C28H29NO7U and a molecular weight of 729.57 g/mol. Its IUPAC name is carbanide;(Z)-1-(3-hydroxybenzene-4-id-1-yl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;uranium(2+).

Molecular Properties

Compound Namecarbanide;(Z)-1-(3-hydroxybenzene-4-id-1-yl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;uranium(2+)
PubChem CID163792781
Molecular FormulaC28H29NO7U
Molecular Weight729.57 g/mol
Exact Mass729.25
IUPAC Namecarbanide;(Z)-1-(3-hydroxybenzene-4-id-1-yl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;uranium(2+)
SMILESCOc1cc(/C=C\c2cc(O)c(OC)c(N/C=C\C(=O)c3cc[c-]c(O)c3)c2)cc(OC)c1OC.[CH3-].[U+2]
InChIInChI=1S/C27H26NO7.CH3.U/c1-32-24-14-18(15-25(33-2)27(24)35-4)9-8-17-12-21(26(34-3)23(31)13-17)28-11-10-22(30)19-6-5-7-20(29)16-19;;/h5-6,8-16,28-29,31H,1-4H3;1H3;/q2*-1;+2/b9-8-,11-10-;;
InChIKeyGBJHMLVVSIHZFB-CFJKUCMYSA-N
XLogP5.36
TPSA106.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.57
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[3-bromo-2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 154362756
(Z)-3-[3-fluoro-2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-phenylprop-2-en-1-one
CID 140697976
3-[3-fluoro-2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-phenylprop-2-en-1-one
CID 154189228
3-[3-fluoro-2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(3-fluorophenyl)prop-2-en-1-one
CID 154199857
1-(3-fluoro-4-methoxyphenyl)-3-[4-hydroxy-5-methoxy-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 154202208
3-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-phenylprop-2-en-1-one
CID 154196778
1-(3-amino-4-methoxyphenyl)-3-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 154157650
(Z)-3-[3-fluoro-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(4-methylphenyl)prop-2-en-1-one
CID 118506959
3-[3-chloro-2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(4-methoxy-3-nitrophenyl)prop-2-en-1-one
CID 154182907
(Z)-1-(4-aminophenyl)-3-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 118495020
(Z)-1-(2-aminophenyl)-3-[3-chloro-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 118495694
(Z)-1-(2-aminophenyl)-3-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 118495394

Frequently Asked Questions

What is the IUPAC name of carbanide;(Z)-1-(3-hydroxybenzene-4-id-1-yl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;uranium(2+)?
The IUPAC name of carbanide;(Z)-1-(3-hydroxybenzene-4-id-1-yl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;uranium(2+) (CID 163792781) is carbanide;(Z)-1-(3-hydroxybenzene-4-id-1-yl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;uranium(2+).
What is the SMILES notation for carbanide;(Z)-1-(3-hydroxybenzene-4-id-1-yl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;uranium(2+)?
The canonical SMILES for carbanide;(Z)-1-(3-hydroxybenzene-4-id-1-yl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;uranium(2+) is COc1cc(/C=C\c2cc(O)c(OC)c(N/C=C\C(=O)c3cc[c-]c(O)c3)c2)cc(OC)c1OC.[CH3-].[U+2].
What is the InChIKey of carbanide;(Z)-1-(3-hydroxybenzene-4-id-1-yl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;uranium(2+)?
The InChIKey is GBJHMLVVSIHZFB-CFJKUCMYSA-N. The full InChI is InChI=1S/C27H26NO7.CH3.U/c1-32-24-14-18(15-25(33-2)27(24)35-4)9-8-17-12-21(26(34-3)23(31)13-17)28-11-10-22(30)19-6-5-7-20(29)16-19;;/h5-6,8-16,28-29,31H,1-4H3;1H3;/q2*-1;+2/b9-8-,11-10-;;.
What are the key properties of carbanide;(Z)-1-(3-hydroxybenzene-4-id-1-yl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;uranium(2+)?
carbanide;(Z)-1-(3-hydroxybenzene-4-id-1-yl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;uranium(2+) has a molecular weight of 729.57 g/mol, XLogP of 5.36, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(Z)-1-(3-hydroxybenzene-4-id-1-yl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;uranium(2+) is sourced from PubChem (CID 163792781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).