[[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]phosphanyl]benzene

C28H33NP2 — CID 130280885

IUPAC[[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]phosphanyl]benzene
SMILESC=C/C=C\C(=C/C)P(NP(C(/C=C\C=C)=C/C=C)c1ccccc1)C(/C=C\C)=C/C=C
InChIInChI=1S/C28H33NP2/c1-7-13-21-25(12-6)30(26(18-9-3)19-10-4)29-31(28-23-16-15-17-24-28)27(20-11-5)22-14-8-2/h7-24,29H,1-3,5H2,4,6H3/b19-10-,21-13-,22-14-,25-12+,26-18+,27-20+
InChIKeyYALAAIPGEFDKIO-WFSIVRMMSA-N
MW445.53 g/mol
LogP8.80
Rot. Bonds13

About [[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]phosphanyl]benzene

[[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]phosphanyl]benzene (PubChem CID 130280885) has the molecular formula C28H33NP2 and a molecular weight of 445.53 g/mol. Its IUPAC name is [[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]phosphanyl]benzene.

Molecular Properties

Compound Name[[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]phosphanyl]benzene
PubChem CID130280885
Molecular FormulaC28H33NP2
Molecular Weight445.53 g/mol
Exact Mass445.21
IUPAC Name[[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]phosphanyl]benzene
SMILESC=C/C=C\C(=C/C)P(NP(C(/C=C\C=C)=C/C=C)c1ccccc1)C(/C=C\C)=C/C=C
InChIInChI=1S/C28H33NP2/c1-7-13-21-25(12-6)30(26(18-9-3)19-10-4)29-31(28-23-16-15-17-24-28)27(20-11-5)22-14-8-2/h7-24,29H,1-3,5H2,4,6H3/b19-10-,21-13-,22-14-,25-12+,26-18+,27-20+
InChIKeyYALAAIPGEFDKIO-WFSIVRMMSA-N
XLogP8.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 58.80
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'}

Analyze [[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]phosphanyl]benzene with MolForge

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Related Compounds

[[(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
[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-phenylphosphane
CID 156713969
ethane;[(2E,4Z)-hexa-2,4-dien-3-yl]-[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane;iodomethane
CID 142091392
[(2E,4Z)-hexa-2,4-dien-3-yl]-methyl-phenylphosphane
CID 142398112
methyl-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]-phenylphosphane
CID 143802887
ethane;2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-phenylphosphanyl]-N-(2-propylsulfanylethyl)ethanamine
CID 145024448
chloro-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[(3Z,5E)-nona-1,3,5,8-tetraen-5-yl]phosphane
CID 155373823
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 12628363
[(3E,5Z)-hepta-1,3,5-trien-4-yl] [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl] phenyl phosphate
CID 130346897
N-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline
CID 59889814
[(3E)-hepta-1,3,5-trien-4-yl]oxybenzene
CID 142809122
(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143274377

Frequently Asked Questions

What is the IUPAC name of [[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]phosphanyl]benzene?
The IUPAC name of [[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]phosphanyl]benzene (CID 130280885) is [[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]phosphanyl]benzene.
What is the SMILES notation for [[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]phosphanyl]benzene?
The canonical SMILES for [[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]phosphanyl]benzene is C=C/C=C\C(=C/C)P(NP(C(/C=C\C=C)=C/C=C)c1ccccc1)C(/C=C\C)=C/C=C.
What is the InChIKey of [[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]phosphanyl]benzene?
The InChIKey is YALAAIPGEFDKIO-WFSIVRMMSA-N. The full InChI is InChI=1S/C28H33NP2/c1-7-13-21-25(12-6)30(26(18-9-3)19-10-4)29-31(28-23-16-15-17-24-28)27(20-11-5)22-14-8-2/h7-24,29H,1-3,5H2,4,6H3/b19-10-,21-13-,22-14-,25-12+,26-18+,27-20+.
What are the key properties of [[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]phosphanyl]benzene?
[[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]phosphanyl]benzene has a molecular weight of 445.53 g/mol, XLogP of 8.80, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]phosphanyl]benzene is sourced from PubChem (CID 130280885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).