bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane);(E,2S,6R,7S)-2,6,7-trimethylnon-4-en-1-ol;[(E,2S,6R,7S)-2,6,7-trimethylnon-4-enoxy]methylbenzene

C31H118O2P60 — CID 91503397

IUPACbis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane);(E,2S,6R,7S)-2,6,7-trimethylnon-4-en-1-ol;[(E,2S,6R,7S)-2,6,7-trimethylnon-4-enoxy]methylbenzene
SMILESCC[C@H](C)[C@@H](C)/C=C/C[C@H](C)CO.CC[C@H](C)[C@@H](C)/C=C/C[C@H](C)COCc1ccccc1.PP(P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.PP(P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C19H30O.C12H24O.2H32P30/c1-5-17(3)18(4)11-9-10-16(2)14-20-15-19-12-7-6-8-13-19;1-5-11(3)12(4)8-6-7-10(2)9-13;2*1-17(2)25(18(3)4)29(26(19(5)6)20(7)8)30(27(21(9)10)22(11)12)28(23(13)14)24(15)16/h6-9,11-13,16-18H,5,10,14-15H2,1-4H3;6,8,10-13H,5,7,9H2,1-4H3;2*1-16H2/b11-9+;8-6+;;/t16-,17-,18-;10-,11-,12-;;/m00../s1
InChIKeyFWBAYSDTEUTYCB-GDZCBVGDSA-N
MW2381.72 g/mol
LogP43.25
Rot. Bonds41

About bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane);(E,2S,6R,7S)-2,6,7-trimethylnon-4-en-1-ol;[(E,2S,6R,7S)-2,6,7-trimethylnon-4-enoxy]methylbenzene

bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane);(E,2S,6R,7S)-2,6,7-trimethylnon-4-en-1-ol;[(E,2S,6R,7S)-2,6,7-trimethylnon-4-enoxy]methylbenzene (PubChem CID 91503397) has the molecular formula C31H118O2P60 and a molecular weight of 2381.72 g/mol. Its IUPAC name is bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane);(E,2S,6R,7S)-2,6,7-trimethylnon-4-en-1-ol;[(E,2S,6R,7S)-2,6,7-trimethylnon-4-enoxy]methylbenzene.

Molecular Properties

Compound Namebis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane);(E,2S,6R,7S)-2,6,7-trimethylnon-4-en-1-ol;[(E,2S,6R,7S)-2,6,7-trimethylnon-4-enoxy]methylbenzene
PubChem CID91503397
Molecular FormulaC31H118O2P60
Molecular Weight2381.72 g/mol
Exact Mass2381.34
IUPAC Namebis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane);(E,2S,6R,7S)-2,6,7-trimethylnon-4-en-1-ol;[(E,2S,6R,7S)-2,6,7-trimethylnon-4-enoxy]methylbenzene
SMILESCC[C@H](C)[C@@H](C)/C=C/C[C@H](C)CO.CC[C@H](C)[C@@H](C)/C=C/C[C@H](C)COCc1ccccc1.PP(P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.PP(P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C19H30O.C12H24O.2H32P30/c1-5-17(3)18(4)11-9-10-16(2)14-20-15-19-12-7-6-8-13-19;1-5-11(3)12(4)8-6-7-10(2)9-13;2*1-17(2)25(18(3)4)29(26(19(5)6)20(7)8)30(27(21(9)10)22(11)12)28(23(13)14)24(15)16/h6-9,11-13,16-18H,5,10,14-15H2,1-4H3;6,8,10-13H,5,7,9H2,1-4H3;2*1-16H2/b11-9+;8-6+;;/t16-,17-,18-;10-,11-,12-;;/m00../s1
InChIKeyFWBAYSDTEUTYCB-GDZCBVGDSA-N
XLogP43.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds41
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002381.72
LogP ≤ 543.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane);(E,2S,6R,7S)-2,6,7-trimethylnon-4-en-1-ol;[(E,2S,6R,7S)-2,6,7-trimethylnon-4-enoxy]methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane);(E,2S,6R,7S)-2,6,7-trimethylnon-4-en-1-ol;[(E,2S,6R,7S)-2,6,7-trimethylnon-4-enoxy]methylbenzene?
The IUPAC name of bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane);(E,2S,6R,7S)-2,6,7-trimethylnon-4-en-1-ol;[(E,2S,6R,7S)-2,6,7-trimethylnon-4-enoxy]methylbenzene (CID 91503397) is bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane);(E,2S,6R,7S)-2,6,7-trimethylnon-4-en-1-ol;[(E,2S,6R,7S)-2,6,7-trimethylnon-4-enoxy]methylbenzene.
What is the SMILES notation for bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane);(E,2S,6R,7S)-2,6,7-trimethylnon-4-en-1-ol;[(E,2S,6R,7S)-2,6,7-trimethylnon-4-enoxy]methylbenzene?
The canonical SMILES for bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane);(E,2S,6R,7S)-2,6,7-trimethylnon-4-en-1-ol;[(E,2S,6R,7S)-2,6,7-trimethylnon-4-enoxy]methylbenzene is CC[C@H](C)[C@@H](C)/C=C/C[C@H](C)CO.CC[C@H](C)[C@@H](C)/C=C/C[C@H](C)COCc1ccccc1.PP(P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.PP(P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.
What is the InChIKey of bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane);(E,2S,6R,7S)-2,6,7-trimethylnon-4-en-1-ol;[(E,2S,6R,7S)-2,6,7-trimethylnon-4-enoxy]methylbenzene?
The InChIKey is FWBAYSDTEUTYCB-GDZCBVGDSA-N. The full InChI is InChI=1S/C19H30O.C12H24O.2H32P30/c1-5-17(3)18(4)11-9-10-16(2)14-20-15-19-12-7-6-8-13-19;1-5-11(3)12(4)8-6-7-10(2)9-13;2*1-17(2)25(18(3)4)29(26(19(5)6)20(7)8)30(27(21(9)10)22(11)12)28(23(13)14)24(15)16/h6-9,11-13,16-18H,5,10,14-15H2,1-4H3;6,8,10-13H,5,7,9H2,1-4H3;2*1-16H2/b11-9+;8-6+;;/t16-,17-,18-;10-,11-,12-;;/m00../s1.
What are the key properties of bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane);(E,2S,6R,7S)-2,6,7-trimethylnon-4-en-1-ol;[(E,2S,6R,7S)-2,6,7-trimethylnon-4-enoxy]methylbenzene?
bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane);(E,2S,6R,7S)-2,6,7-trimethylnon-4-en-1-ol;[(E,2S,6R,7S)-2,6,7-trimethylnon-4-enoxy]methylbenzene has a molecular weight of 2381.72 g/mol, XLogP of 43.25, 41 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane);(E,2S,6R,7S)-2,6,7-trimethylnon-4-en-1-ol;[(E,2S,6R,7S)-2,6,7-trimethylnon-4-enoxy]methylbenzene is sourced from PubChem (CID 91503397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).