[(2E,8E,10E)-8-methyl-7-methylidene-10-(2-methyl-4-methylidenepyrimidin-5-ylidene)deca-2,4,8-trien-3-yl]phosphane

C18H23N2P — CID 126516035

IUPAC[(2E,8E,10E)-8-methyl-7-methylidene-10-(2-methyl-4-methylidenepyrimidin-5-ylidene)deca-2,4,8-trien-3-yl]phosphane
SMILESC=C(CC=C/C(P)=C\C)/C(C)=C/C=c1/cnc(C)nc1=C
InChIInChI=1S/C18H23N2P/c1-6-18(21)9-7-8-13(2)14(3)10-11-17-12-19-16(5)20-15(17)4/h6-7,9-12H,2,4,8,21H2,1,3,5H3/b9-7?,14-10+,17-11-,18-6+
InChIKeyGHLPGKKLFMNRDO-IAKLGYOISA-N
MW298.37 g/mol
LogP3.20
Rot. Bonds5

About [(2E,8E,10E)-8-methyl-7-methylidene-10-(2-methyl-4-methylidenepyrimidin-5-ylidene)deca-2,4,8-trien-3-yl]phosphane

[(2E,8E,10E)-8-methyl-7-methylidene-10-(2-methyl-4-methylidenepyrimidin-5-ylidene)deca-2,4,8-trien-3-yl]phosphane (PubChem CID 126516035) has the molecular formula C18H23N2P and a molecular weight of 298.37 g/mol. Its IUPAC name is [(2E,8E,10E)-8-methyl-7-methylidene-10-(2-methyl-4-methylidenepyrimidin-5-ylidene)deca-2,4,8-trien-3-yl]phosphane.

Molecular Properties

Compound Name[(2E,8E,10E)-8-methyl-7-methylidene-10-(2-methyl-4-methylidenepyrimidin-5-ylidene)deca-2,4,8-trien-3-yl]phosphane
PubChem CID126516035
Molecular FormulaC18H23N2P
Molecular Weight298.37 g/mol
Exact Mass298.16
IUPAC Name[(2E,8E,10E)-8-methyl-7-methylidene-10-(2-methyl-4-methylidenepyrimidin-5-ylidene)deca-2,4,8-trien-3-yl]phosphane
SMILESC=C(CC=C/C(P)=C\C)/C(C)=C/C=c1/cnc(C)nc1=C
InChIInChI=1S/C18H23N2P/c1-6-18(21)9-7-8-13(2)14(3)10-11-17-12-19-16(5)20-15(17)4/h6-7,9-12H,2,4,8,21H2,1,3,5H3/b9-7?,14-10+,17-11-,18-6+
InChIKeyGHLPGKKLFMNRDO-IAKLGYOISA-N
XLogP3.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,4-dihydropyridin-6-ylmethylideneamino)-6-ethyl-N-imino-2-methylideneocta-3,6-dienimidamide
CID 123801275
(5E)-5-[(E)-3-(4-ethylcyclohepta-1,3,5,6-tetraen-1-yl)but-2-enylidene]-2-methyl-4-methylidenepyrimidine
CID 126516227
(4Z,5E)-5-[(2E,5Z,7Z)-5-ethenyl-3,7-dimethylnona-2,5,7-trienylidene]-4-propylidenepyrimidine
CID 126516283
(5E)-5-[(2E,4E)-3,4-dimethylhexa-2,4-dienylidene]-2-methyl-4-methylidenepyrimidine
CID 126516413
N-[(3E,4E)-6-[[(Z)-but-2-enylidene]amino]-3-ethylidene-2-methylidene-5-(methylideneamino)-4-[(Z)-prop-1-enyl]hepta-4,6-dienylidene]-N'-methylethanimidamide
CID 135198921
Ethane;2-(4-methylcyclohexa-1,5-dien-1-yl)cyclohepta[d]pyrimidine
CID 142182218
ethane;(4E,5E)-2-methyl-4,5-bis(prop-2-enylidene)pyrimidine
CID 142280939
(4E)-2-methyl-5-methylidene-4-prop-2-enylidenepyrimidine
CID 142408490
ethane;(4E,5E)-5-ethylidene-4-prop-2-enylidenepyrimidine
CID 144001815
2,6-dimethyl-6H-cyclohepta[d]pyrimidine;ethane
CID 144029850
ethane;(5E)-4-methylidene-5-[(E)-2-methylidenepent-3-enylidene]-2-propan-2-ylpyrimidine
CID 144153682
(4E,5E)-4,5-bis(prop-2-enylidene)pyrimidine;ethane
CID 144316380

Frequently Asked Questions

What is the IUPAC name of [(2E,8E,10E)-8-methyl-7-methylidene-10-(2-methyl-4-methylidenepyrimidin-5-ylidene)deca-2,4,8-trien-3-yl]phosphane?
The IUPAC name of [(2E,8E,10E)-8-methyl-7-methylidene-10-(2-methyl-4-methylidenepyrimidin-5-ylidene)deca-2,4,8-trien-3-yl]phosphane (CID 126516035) is [(2E,8E,10E)-8-methyl-7-methylidene-10-(2-methyl-4-methylidenepyrimidin-5-ylidene)deca-2,4,8-trien-3-yl]phosphane.
What is the SMILES notation for [(2E,8E,10E)-8-methyl-7-methylidene-10-(2-methyl-4-methylidenepyrimidin-5-ylidene)deca-2,4,8-trien-3-yl]phosphane?
The canonical SMILES for [(2E,8E,10E)-8-methyl-7-methylidene-10-(2-methyl-4-methylidenepyrimidin-5-ylidene)deca-2,4,8-trien-3-yl]phosphane is C=C(CC=C/C(P)=C\C)/C(C)=C/C=c1/cnc(C)nc1=C.
What is the InChIKey of [(2E,8E,10E)-8-methyl-7-methylidene-10-(2-methyl-4-methylidenepyrimidin-5-ylidene)deca-2,4,8-trien-3-yl]phosphane?
The InChIKey is GHLPGKKLFMNRDO-IAKLGYOISA-N. The full InChI is InChI=1S/C18H23N2P/c1-6-18(21)9-7-8-13(2)14(3)10-11-17-12-19-16(5)20-15(17)4/h6-7,9-12H,2,4,8,21H2,1,3,5H3/b9-7?,14-10+,17-11-,18-6+.
What are the key properties of [(2E,8E,10E)-8-methyl-7-methylidene-10-(2-methyl-4-methylidenepyrimidin-5-ylidene)deca-2,4,8-trien-3-yl]phosphane?
[(2E,8E,10E)-8-methyl-7-methylidene-10-(2-methyl-4-methylidenepyrimidin-5-ylidene)deca-2,4,8-trien-3-yl]phosphane has a molecular weight of 298.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,8E,10E)-8-methyl-7-methylidene-10-(2-methyl-4-methylidenepyrimidin-5-ylidene)deca-2,4,8-trien-3-yl]phosphane is sourced from PubChem (CID 126516035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).