cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-[2-[6-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)phosphanyl]cyclohexen-1-yl]oxyphenyl]phosphane

C36H42OP2 — CID 130389235

IUPACcyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-[2-[6-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)phosphanyl]cyclohexen-1-yl]oxyphenyl]phosphane
SMILESC1=CCC(P(C2=CCCC=C2)c2ccccc2OC2=CCCCC2P(C2=CCCCC2)C2C=CC=CC2)C=C1
InChIInChI=1S/C36H42OP2/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1,3,5-7,9-10,13,15,17,19-21,23,25-27,29,31,36H,2,4,8,11-12,14,16,18,22,24,28H2
InChIKeyMGGSZLROCRGHRL-UHFFFAOYSA-N
MW552.68 g/mol
LogP10.55
Rot. Bonds8

About cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-[2-[6-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)phosphanyl]cyclohexen-1-yl]oxyphenyl]phosphane

cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-[2-[6-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)phosphanyl]cyclohexen-1-yl]oxyphenyl]phosphane (PubChem CID 130389235) has the molecular formula C36H42OP2 and a molecular weight of 552.68 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-[2-[6-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)phosphanyl]cyclohexen-1-yl]oxyphenyl]phosphane.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-[2-[6-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)phosphanyl]cyclohexen-1-yl]oxyphenyl]phosphane
PubChem CID130389235
Molecular FormulaC36H42OP2
Molecular Weight552.68 g/mol
Exact Mass552.27
IUPAC Namecyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-[2-[6-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)phosphanyl]cyclohexen-1-yl]oxyphenyl]phosphane
SMILESC1=CCC(P(C2=CCCC=C2)c2ccccc2OC2=CCCCC2P(C2=CCCCC2)C2C=CC=CC2)C=C1
InChIInChI=1S/C36H42OP2/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1,3,5-7,9-10,13,15,17,19-21,23,25-27,29,31,36H,2,4,8,11-12,14,16,18,22,24,28H2
InChIKeyMGGSZLROCRGHRL-UHFFFAOYSA-N
XLogP10.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.68
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-[2-[6-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)phosphanyl]cyclohexen-1-yl]oxyphenyl]phosphane?
The IUPAC name of cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-[2-[6-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)phosphanyl]cyclohexen-1-yl]oxyphenyl]phosphane (CID 130389235) is cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-[2-[6-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)phosphanyl]cyclohexen-1-yl]oxyphenyl]phosphane.
What is the SMILES notation for cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-[2-[6-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)phosphanyl]cyclohexen-1-yl]oxyphenyl]phosphane?
The canonical SMILES for cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-[2-[6-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)phosphanyl]cyclohexen-1-yl]oxyphenyl]phosphane is C1=CCC(P(C2=CCCC=C2)c2ccccc2OC2=CCCCC2P(C2=CCCCC2)C2C=CC=CC2)C=C1.
What is the InChIKey of cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-[2-[6-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)phosphanyl]cyclohexen-1-yl]oxyphenyl]phosphane?
The InChIKey is MGGSZLROCRGHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42OP2/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1,3,5-7,9-10,13,15,17,19-21,23,25-27,29,31,36H,2,4,8,11-12,14,16,18,22,24,28H2.
What are the key properties of cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-[2-[6-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)phosphanyl]cyclohexen-1-yl]oxyphenyl]phosphane?
cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-[2-[6-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)phosphanyl]cyclohexen-1-yl]oxyphenyl]phosphane has a molecular weight of 552.68 g/mol, XLogP of 10.55, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-[2-[6-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)phosphanyl]cyclohexen-1-yl]oxyphenyl]phosphane is sourced from PubChem (CID 130389235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).