dicyclohexyl-[1-(2-dicyclohexylphosphanylphenyl)pyrrol-2-yl]phosphane

C34H51NP2 — CID 12070552

IUPACdicyclohexyl-[1-(2-dicyclohexylphosphanylphenyl)pyrrol-2-yl]phosphane
SMILESc1ccc(P(C2CCCCC2)C2CCCCC2)c(-n2cccc2P(C2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C34H51NP2/c1-5-16-28(17-6-1)36(29-18-7-2-8-19-29)33-25-14-13-24-32(33)35-27-15-26-34(35)37(30-20-9-3-10-21-30)31-22-11-4-12-23-31/h13-15,24-31H,1-12,16-23H2
InChIKeyQHQBDLWYYCXYDH-UHFFFAOYSA-N
MW535.74 g/mol
LogP10.02
Rot. Bonds7

About dicyclohexyl-[1-(2-dicyclohexylphosphanylphenyl)pyrrol-2-yl]phosphane

dicyclohexyl-[1-(2-dicyclohexylphosphanylphenyl)pyrrol-2-yl]phosphane (PubChem CID 12070552) has the molecular formula C34H51NP2 and a molecular weight of 535.74 g/mol. Its IUPAC name is dicyclohexyl-[1-(2-dicyclohexylphosphanylphenyl)pyrrol-2-yl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[1-(2-dicyclohexylphosphanylphenyl)pyrrol-2-yl]phosphane
PubChem CID12070552
Molecular FormulaC34H51NP2
Molecular Weight535.74 g/mol
Exact Mass535.35
IUPAC Namedicyclohexyl-[1-(2-dicyclohexylphosphanylphenyl)pyrrol-2-yl]phosphane
SMILESc1ccc(P(C2CCCCC2)C2CCCCC2)c(-n2cccc2P(C2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C34H51NP2/c1-5-16-28(17-6-1)36(29-18-7-2-8-19-29)33-25-14-13-24-32(33)35-27-15-26-34(35)37(30-20-9-3-10-21-30)31-22-11-4-12-23-31/h13-15,24-31H,1-12,16-23H2
InChIKeyQHQBDLWYYCXYDH-UHFFFAOYSA-N
XLogP10.02
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.74
LogP ≤ 510.02
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 dicyclohexyl-[1-(2-dicyclohexylphosphanylphenyl)pyrrol-2-yl]phosphane?
The IUPAC name of dicyclohexyl-[1-(2-dicyclohexylphosphanylphenyl)pyrrol-2-yl]phosphane (CID 12070552) is dicyclohexyl-[1-(2-dicyclohexylphosphanylphenyl)pyrrol-2-yl]phosphane.
What is the SMILES notation for dicyclohexyl-[1-(2-dicyclohexylphosphanylphenyl)pyrrol-2-yl]phosphane?
The canonical SMILES for dicyclohexyl-[1-(2-dicyclohexylphosphanylphenyl)pyrrol-2-yl]phosphane is c1ccc(P(C2CCCCC2)C2CCCCC2)c(-n2cccc2P(C2CCCCC2)C2CCCCC2)c1.
What is the InChIKey of dicyclohexyl-[1-(2-dicyclohexylphosphanylphenyl)pyrrol-2-yl]phosphane?
The InChIKey is QHQBDLWYYCXYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H51NP2/c1-5-16-28(17-6-1)36(29-18-7-2-8-19-29)33-25-14-13-24-32(33)35-27-15-26-34(35)37(30-20-9-3-10-21-30)31-22-11-4-12-23-31/h13-15,24-31H,1-12,16-23H2.
What are the key properties of dicyclohexyl-[1-(2-dicyclohexylphosphanylphenyl)pyrrol-2-yl]phosphane?
dicyclohexyl-[1-(2-dicyclohexylphosphanylphenyl)pyrrol-2-yl]phosphane has a molecular weight of 535.74 g/mol, XLogP of 10.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[1-(2-dicyclohexylphosphanylphenyl)pyrrol-2-yl]phosphane is sourced from PubChem (CID 12070552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).