[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]phosphanyl]benzene

C27H33NP2 — CID 130280362

IUPAC[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]phosphanyl]benzene
SMILESC=C/C=C\C(=C/C)P(NP(C(/C=C\C)=C/C=C)c1ccccc1)C(/C=C\C)=C/C=C
InChIInChI=1S/C27H33NP2/c1-7-13-21-24(12-6)29(25(17-8-2)18-9-3)28-30(26(19-10-4)20-11-5)27-22-15-14-16-23-27/h7-23,28H,1-2,4H2,3,5-6H3/b18-9-,20-11-,21-13-,24-12+,25-17+,26-19+
InChIKeyMKNHETUZAQQFBE-XKVCFQSNSA-N
MW433.52 g/mol
LogP8.63
Rot. Bonds12

About [[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]phosphanyl]benzene

[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]phosphanyl]benzene (PubChem CID 130280362) has the molecular formula C27H33NP2 and a molecular weight of 433.52 g/mol. Its IUPAC name is [[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]phosphanyl]benzene.

Molecular Properties

Compound Name[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]phosphanyl]benzene
PubChem CID130280362
Molecular FormulaC27H33NP2
Molecular Weight433.52 g/mol
Exact Mass433.21
IUPAC Name[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]phosphanyl]benzene
SMILESC=C/C=C\C(=C/C)P(NP(C(/C=C\C)=C/C=C)c1ccccc1)C(/C=C\C)=C/C=C
InChIInChI=1S/C27H33NP2/c1-7-13-21-24(12-6)29(25(17-8-2)18-9-3)28-30(26(19-10-4)20-11-5)27-22-15-14-16-23-27/h7-23,28H,1-2,4H2,3,5-6H3/b18-9-,20-11-,21-13-,24-12+,25-17+,26-19+
InChIKeyMKNHETUZAQQFBE-XKVCFQSNSA-N
XLogP8.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.52
LogP ≤ 58.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]phosphanyl]benzene?
The IUPAC name of [[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]phosphanyl]benzene (CID 130280362) is [[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]phosphanyl]benzene.
What is the SMILES notation for [[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]phosphanyl]benzene?
The canonical SMILES for [[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]phosphanyl]benzene is C=C/C=C\C(=C/C)P(NP(C(/C=C\C)=C/C=C)c1ccccc1)C(/C=C\C)=C/C=C.
What is the InChIKey of [[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]phosphanyl]benzene?
The InChIKey is MKNHETUZAQQFBE-XKVCFQSNSA-N. The full InChI is InChI=1S/C27H33NP2/c1-7-13-21-24(12-6)29(25(17-8-2)18-9-3)28-30(26(19-10-4)20-11-5)27-22-15-14-16-23-27/h7-23,28H,1-2,4H2,3,5-6H3/b18-9-,20-11-,21-13-,24-12+,25-17+,26-19+.
What are the key properties of [[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]phosphanyl]benzene?
[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]phosphanyl]benzene has a molecular weight of 433.52 g/mol, XLogP of 8.63, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]phosphanyl]benzene is sourced from PubChem (CID 130280362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).