[(1Z,3Z)-1,2-bis(ethenyl)-4-[indol-1-yl(phenoxy)phosphanyl]oxy-3-methylpenta-1,3-dienoxy]-indol-1-yl-phenoxyphosphane;prop-1-ene

C41H40N2O4P2 — CID 143042162

IUPAC[(1Z,3Z)-1,2-bis(ethenyl)-4-[indol-1-yl(phenoxy)phosphanyl]oxy-3-methylpenta-1,3-dienoxy]-indol-1-yl-phenoxyphosphane;prop-1-ene
SMILESC=C/C(OP(Oc1ccccc1)n1ccc2ccccc21)=C(C=C)/C(C)=C(/C)OP(Oc1ccccc1)n1ccc2ccccc21.C=CC
InChIInChI=1S/C38H34N2O4P2.C3H6/c1-5-35(38(6-2)44-46(43-34-21-11-8-12-22-34)40-28-26-32-18-14-16-24-37(32)40)29(3)30(4)41-45(42-33-19-9-7-10-20-33)39-27-25-31-17-13-15-23-36(31)39;1-3-2/h5-28H,1-2H2,3-4H3;3H,1H2,2H3/b30-29-,38-35-;
InChIKeyFTQPLNFJGDTSOK-MYUUQPHDSA-N
MW686.73 g/mol
LogP12.75
Rot. Bonds13

About [(1Z,3Z)-1,2-bis(ethenyl)-4-[indol-1-yl(phenoxy)phosphanyl]oxy-3-methylpenta-1,3-dienoxy]-indol-1-yl-phenoxyphosphane;prop-1-ene

[(1Z,3Z)-1,2-bis(ethenyl)-4-[indol-1-yl(phenoxy)phosphanyl]oxy-3-methylpenta-1,3-dienoxy]-indol-1-yl-phenoxyphosphane;prop-1-ene (PubChem CID 143042162) has the molecular formula C41H40N2O4P2 and a molecular weight of 686.73 g/mol. Its IUPAC name is [(1Z,3Z)-1,2-bis(ethenyl)-4-[indol-1-yl(phenoxy)phosphanyl]oxy-3-methylpenta-1,3-dienoxy]-indol-1-yl-phenoxyphosphane;prop-1-ene.

Molecular Properties

Compound Name[(1Z,3Z)-1,2-bis(ethenyl)-4-[indol-1-yl(phenoxy)phosphanyl]oxy-3-methylpenta-1,3-dienoxy]-indol-1-yl-phenoxyphosphane;prop-1-ene
PubChem CID143042162
Molecular FormulaC41H40N2O4P2
Molecular Weight686.73 g/mol
Exact Mass686.25
IUPAC Name[(1Z,3Z)-1,2-bis(ethenyl)-4-[indol-1-yl(phenoxy)phosphanyl]oxy-3-methylpenta-1,3-dienoxy]-indol-1-yl-phenoxyphosphane;prop-1-ene
SMILESC=C/C(OP(Oc1ccccc1)n1ccc2ccccc21)=C(C=C)/C(C)=C(/C)OP(Oc1ccccc1)n1ccc2ccccc21.C=CC
InChIInChI=1S/C38H34N2O4P2.C3H6/c1-5-35(38(6-2)44-46(43-34-21-11-8-12-22-34)40-28-26-32-18-14-16-24-37(32)40)29(3)30(4)41-45(42-33-19-9-7-10-20-33)39-27-25-31-17-13-15-23-36(31)39;1-3-2/h5-28H,1-2H2,3-4H3;3H,1H2,2H3/b30-29-,38-35-;
InChIKeyFTQPLNFJGDTSOK-MYUUQPHDSA-N
XLogP12.75
TPSA46.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.73
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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 [(1Z,3Z)-1,2-bis(ethenyl)-4-[indol-1-yl(phenoxy)phosphanyl]oxy-3-methylpenta-1,3-dienoxy]-indol-1-yl-phenoxyphosphane;prop-1-ene?
The IUPAC name of [(1Z,3Z)-1,2-bis(ethenyl)-4-[indol-1-yl(phenoxy)phosphanyl]oxy-3-methylpenta-1,3-dienoxy]-indol-1-yl-phenoxyphosphane;prop-1-ene (CID 143042162) is [(1Z,3Z)-1,2-bis(ethenyl)-4-[indol-1-yl(phenoxy)phosphanyl]oxy-3-methylpenta-1,3-dienoxy]-indol-1-yl-phenoxyphosphane;prop-1-ene.
What is the SMILES notation for [(1Z,3Z)-1,2-bis(ethenyl)-4-[indol-1-yl(phenoxy)phosphanyl]oxy-3-methylpenta-1,3-dienoxy]-indol-1-yl-phenoxyphosphane;prop-1-ene?
The canonical SMILES for [(1Z,3Z)-1,2-bis(ethenyl)-4-[indol-1-yl(phenoxy)phosphanyl]oxy-3-methylpenta-1,3-dienoxy]-indol-1-yl-phenoxyphosphane;prop-1-ene is C=C/C(OP(Oc1ccccc1)n1ccc2ccccc21)=C(C=C)/C(C)=C(/C)OP(Oc1ccccc1)n1ccc2ccccc21.C=CC.
What is the InChIKey of [(1Z,3Z)-1,2-bis(ethenyl)-4-[indol-1-yl(phenoxy)phosphanyl]oxy-3-methylpenta-1,3-dienoxy]-indol-1-yl-phenoxyphosphane;prop-1-ene?
The InChIKey is FTQPLNFJGDTSOK-MYUUQPHDSA-N. The full InChI is InChI=1S/C38H34N2O4P2.C3H6/c1-5-35(38(6-2)44-46(43-34-21-11-8-12-22-34)40-28-26-32-18-14-16-24-37(32)40)29(3)30(4)41-45(42-33-19-9-7-10-20-33)39-27-25-31-17-13-15-23-36(31)39;1-3-2/h5-28H,1-2H2,3-4H3;3H,1H2,2H3/b30-29-,38-35-;.
What are the key properties of [(1Z,3Z)-1,2-bis(ethenyl)-4-[indol-1-yl(phenoxy)phosphanyl]oxy-3-methylpenta-1,3-dienoxy]-indol-1-yl-phenoxyphosphane;prop-1-ene?
[(1Z,3Z)-1,2-bis(ethenyl)-4-[indol-1-yl(phenoxy)phosphanyl]oxy-3-methylpenta-1,3-dienoxy]-indol-1-yl-phenoxyphosphane;prop-1-ene has a molecular weight of 686.73 g/mol, XLogP of 12.75, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3Z)-1,2-bis(ethenyl)-4-[indol-1-yl(phenoxy)phosphanyl]oxy-3-methylpenta-1,3-dienoxy]-indol-1-yl-phenoxyphosphane;prop-1-ene is sourced from PubChem (CID 143042162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).