(Z)-1-[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine

C87H102N8O8P4 — CID 91423505

IUPAC(Z)-1-[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine
SMILESCOCOc1c(C)cccc1Pc1ccccc1/C=N\n1cccc1.COCOc1c(Pc2ccccc2/C=N\N2CCCCC2)cc(C(C)(C)C)cc1C(C)(C)C.COCOc1ccc(C)cc1Pc1ccccc1/C=N\n1cccc1.COCOc1ccccc1Pc1ccccc1/C=N\n1cccc1
InChIInChI=1S/C28H41N2O2P.2C20H21N2O2P.C19H19N2O2P/c1-27(2,3)22-17-23(28(4,5)6)26(32-20-31-7)25(18-22)33-24-14-10-9-13-21(24)19-29-30-15-11-8-12-16-30;1-16-8-7-11-19(20(16)24-15-23-2)25-18-10-4-3-9-17(18)14-21-22-12-5-6-13-22;1-16-9-10-18(24-15-23-2)20(13-16)25-19-8-4-3-7-17(19)14-21-22-11-5-6-12-22;1-22-15-23-17-9-3-5-11-19(17)24-18-10-4-2-8-16(18)14-20-21-12-6-7-13-21/h9-10,13-14,17-19,33H,8,11-12,15-16,20H2,1-7H3;2*3-14,25H,15H2,1-2H3;2-14,24H,15H2,1H3/b29-19-;2*21-14-;20-14-
InChIKeyXRSRNWOHOLNFTB-BEKFQEPISA-N
MW1511.72 g/mol
LogP15.28
Rot. Bonds28

About (Z)-1-[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine

(Z)-1-[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine (PubChem CID 91423505) has the molecular formula C87H102N8O8P4 and a molecular weight of 1511.72 g/mol. Its IUPAC name is (Z)-1-[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine.

Molecular Properties

Compound Name(Z)-1-[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine
PubChem CID91423505
Molecular FormulaC87H102N8O8P4
Molecular Weight1511.72 g/mol
Exact Mass1510.68
IUPAC Name(Z)-1-[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine
SMILESCOCOc1c(C)cccc1Pc1ccccc1/C=N\n1cccc1.COCOc1c(Pc2ccccc2/C=N\N2CCCCC2)cc(C(C)(C)C)cc1C(C)(C)C.COCOc1ccc(C)cc1Pc1ccccc1/C=N\n1cccc1.COCOc1ccccc1Pc1ccccc1/C=N\n1cccc1
InChIInChI=1S/C28H41N2O2P.2C20H21N2O2P.C19H19N2O2P/c1-27(2,3)22-17-23(28(4,5)6)26(32-20-31-7)25(18-22)33-24-14-10-9-13-21(24)19-29-30-15-11-8-12-16-30;1-16-8-7-11-19(20(16)24-15-23-2)25-18-10-4-3-9-17(18)14-21-22-12-5-6-13-22;1-16-9-10-18(24-15-23-2)20(13-16)25-19-8-4-3-7-17(19)14-21-22-11-5-6-12-22;1-22-15-23-17-9-3-5-11-19(17)24-18-10-4-2-8-16(18)14-20-21-12-6-7-13-21/h9-10,13-14,17-19,33H,8,11-12,15-16,20H2,1-7H3;2*3-14,25H,15H2,1-2H3;2-14,24H,15H2,1H3/b29-19-;2*21-14-;20-14-
InChIKeyXRSRNWOHOLNFTB-BEKFQEPISA-N
XLogP15.28
TPSA141.31 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001511.72
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (Z)-1-[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine?
The IUPAC name of (Z)-1-[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine (CID 91423505) is (Z)-1-[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine.
What is the SMILES notation for (Z)-1-[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine?
The canonical SMILES for (Z)-1-[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine is COCOc1c(C)cccc1Pc1ccccc1/C=N\n1cccc1.COCOc1c(Pc2ccccc2/C=N\N2CCCCC2)cc(C(C)(C)C)cc1C(C)(C)C.COCOc1ccc(C)cc1Pc1ccccc1/C=N\n1cccc1.COCOc1ccccc1Pc1ccccc1/C=N\n1cccc1.
What is the InChIKey of (Z)-1-[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine?
The InChIKey is XRSRNWOHOLNFTB-BEKFQEPISA-N. The full InChI is InChI=1S/C28H41N2O2P.2C20H21N2O2P.C19H19N2O2P/c1-27(2,3)22-17-23(28(4,5)6)26(32-20-31-7)25(18-22)33-24-14-10-9-13-21(24)19-29-30-15-11-8-12-16-30;1-16-8-7-11-19(20(16)24-15-23-2)25-18-10-4-3-9-17(18)14-21-22-12-5-6-13-22;1-16-9-10-18(24-15-23-2)20(13-16)25-19-8-4-3-7-17(19)14-21-22-11-5-6-12-22;1-22-15-23-17-9-3-5-11-19(17)24-18-10-4-2-8-16(18)14-20-21-12-6-7-13-21/h9-10,13-14,17-19,33H,8,11-12,15-16,20H2,1-7H3;2*3-14,25H,15H2,1-2H3;2-14,24H,15H2,1H3/b29-19-;2*21-14-;20-14-.
What are the key properties of (Z)-1-[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine?
(Z)-1-[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine has a molecular weight of 1511.72 g/mol, XLogP of 15.28, 28 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine is sourced from PubChem (CID 91423505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).