dicyclohexyl-[2-(2-dicyclohexylphosphanylpyrrol-1-yl)phenyl]-methylidene-λ5-phosphane

C35H53NP2 — CID 21056942

IUPACdicyclohexyl-[2-(2-dicyclohexylphosphanylpyrrol-1-yl)phenyl]-methylidene-λ5-phosphane
SMILESC=P(c1ccccc1-n1cccc1P(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C35H53NP2/c1-38(31-21-10-4-11-22-31,32-23-12-5-13-24-32)34-26-15-14-25-33(34)36-28-16-27-35(36)37(29-17-6-2-7-18-29)30-19-8-3-9-20-30/h14-16,25-32H,1-13,17-24H2
InChIKeyOEMXEPKVOIDRSZ-UHFFFAOYSA-N
MW549.76 g/mol
LogP9.99
Rot. Bonds7

About dicyclohexyl-[2-(2-dicyclohexylphosphanylpyrrol-1-yl)phenyl]-methylidene-λ5-phosphane

dicyclohexyl-[2-(2-dicyclohexylphosphanylpyrrol-1-yl)phenyl]-methylidene-λ5-phosphane (PubChem CID 21056942) has the molecular formula C35H53NP2 and a molecular weight of 549.76 g/mol. Its IUPAC name is dicyclohexyl-[2-(2-dicyclohexylphosphanylpyrrol-1-yl)phenyl]-methylidene-λ5-phosphane.

Molecular Properties

Compound Namedicyclohexyl-[2-(2-dicyclohexylphosphanylpyrrol-1-yl)phenyl]-methylidene-λ5-phosphane
PubChem CID21056942
Molecular FormulaC35H53NP2
Molecular Weight549.76 g/mol
Exact Mass549.37
IUPAC Namedicyclohexyl-[2-(2-dicyclohexylphosphanylpyrrol-1-yl)phenyl]-methylidene-λ5-phosphane
SMILESC=P(c1ccccc1-n1cccc1P(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C35H53NP2/c1-38(31-21-10-4-11-22-31,32-23-12-5-13-24-32)34-26-15-14-25-33(34)36-28-16-27-35(36)37(29-17-6-2-7-18-29)30-19-8-3-9-20-30/h14-16,25-32H,1-13,17-24H2
InChIKeyOEMXEPKVOIDRSZ-UHFFFAOYSA-N
XLogP9.99
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.76
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dicyclohexyl-[1-(2-dicyclohexylphosphanylphenyl)pyrrol-2-yl]phosphane
CID 12070552
dicyclohexyl-[1-(2-triethylsilylphenyl)pyrrol-2-yl]phosphane
CID 164886886
dicyclohexyl-(2-phenylpyrazol-3-yl)phosphane
CID 102599721
bis(dicyclohexyl(phenyl)phosphane);dihydrobromide
CID 173326608
dicyclohexyl(phenyl)phosphane;dicyclohexylphosphorylbenzene
CID 161477037
dicyclohexyl-[2-[(2-dicyclohexylphosphanylphenyl)-phenylboranyl]phenyl]phosphane
CID 139094751
di(cyclobutyl)-[2-di(cyclobutyl)phosphanylphenyl]phosphane
CID 90110127
tris(dicyclohexyl(phenyl)phosphane);gold(1+);perchlorate
CID 57357504
zinc bis(dicyclohexyl(phenyl)phosphane)
CID 177400606
1-[cyclohexyl(methyl)phosphoryl]-2-methoxybenzene
CID 12892172
1-bromo-2-dicyclohexylphosphorylbenzene
CID 102164543
carbon monoxide;chromium;(R)-cyclohexyl-methyl-phenylphosphane
CID 134976520

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[2-(2-dicyclohexylphosphanylpyrrol-1-yl)phenyl]-methylidene-λ5-phosphane?
The IUPAC name of dicyclohexyl-[2-(2-dicyclohexylphosphanylpyrrol-1-yl)phenyl]-methylidene-λ5-phosphane (CID 21056942) is dicyclohexyl-[2-(2-dicyclohexylphosphanylpyrrol-1-yl)phenyl]-methylidene-λ5-phosphane.
What is the SMILES notation for dicyclohexyl-[2-(2-dicyclohexylphosphanylpyrrol-1-yl)phenyl]-methylidene-λ5-phosphane?
The canonical SMILES for dicyclohexyl-[2-(2-dicyclohexylphosphanylpyrrol-1-yl)phenyl]-methylidene-λ5-phosphane is C=P(c1ccccc1-n1cccc1P(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[2-(2-dicyclohexylphosphanylpyrrol-1-yl)phenyl]-methylidene-λ5-phosphane?
The InChIKey is OEMXEPKVOIDRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H53NP2/c1-38(31-21-10-4-11-22-31,32-23-12-5-13-24-32)34-26-15-14-25-33(34)36-28-16-27-35(36)37(29-17-6-2-7-18-29)30-19-8-3-9-20-30/h14-16,25-32H,1-13,17-24H2.
What are the key properties of dicyclohexyl-[2-(2-dicyclohexylphosphanylpyrrol-1-yl)phenyl]-methylidene-λ5-phosphane?
dicyclohexyl-[2-(2-dicyclohexylphosphanylpyrrol-1-yl)phenyl]-methylidene-λ5-phosphane has a molecular weight of 549.76 g/mol, XLogP of 9.99, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-(2-dicyclohexylphosphanylpyrrol-1-yl)phenyl]-methylidene-λ5-phosphane is sourced from PubChem (CID 21056942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).