(cyclohexylamino)-(4-phenylphenyl)-sulfanylidenephosphanium

C18H21NPS+ — CID 6367069

IUPAC(cyclohexylamino)-(4-phenylphenyl)-sulfanylidenephosphanium
SMILESS=[P+](NC1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21NPS/c21-20(19-17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2,(H,19,21)/q+1
InChIKeyRLRGJYDBKKYUHT-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.76
Rot. Bonds4

About (cyclohexylamino)-(4-phenylphenyl)-sulfanylidenephosphanium

(cyclohexylamino)-(4-phenylphenyl)-sulfanylidenephosphanium (PubChem CID 6367069) has the molecular formula C18H21NPS+ and a molecular weight of 314.41 g/mol. Its IUPAC name is (cyclohexylamino)-(4-phenylphenyl)-sulfanylidenephosphanium.

Molecular Properties

Compound Name(cyclohexylamino)-(4-phenylphenyl)-sulfanylidenephosphanium
PubChem CID6367069
Molecular FormulaC18H21NPS+
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name(cyclohexylamino)-(4-phenylphenyl)-sulfanylidenephosphanium
SMILESS=[P+](NC1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21NPS/c21-20(19-17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2,(H,19,21)/q+1
InChIKeyRLRGJYDBKKYUHT-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Prenylamine
CID 9801
2,2-Diphenylethylamine
CID 77575
3,3-Diphenylpropylamine
CID 79698
Triphenylbutanamine
CID 57094730
1,3-Diphenyl-2-aminopropane
CID 77960
Pramiverine
CID 71681
4-Phenylcyclohexylamine
CID 29897
Ethylamine, 2,2,2-triphenyl-, hydrochloride
CID 3033278
1,3-Diphenyl-2-aminopropane hydrochloride
CID 202208
2,3-Diphenylpropylamine
CID 38619
4,4-Diphenylbutylamine
CID 3015863
(2S)-4,4-bis(3-fluorophenyl)butan-2-amine
CID 9796261

Frequently Asked Questions

What is the IUPAC name of (cyclohexylamino)-(4-phenylphenyl)-sulfanylidenephosphanium?
The IUPAC name of (cyclohexylamino)-(4-phenylphenyl)-sulfanylidenephosphanium (CID 6367069) is (cyclohexylamino)-(4-phenylphenyl)-sulfanylidenephosphanium.
What is the SMILES notation for (cyclohexylamino)-(4-phenylphenyl)-sulfanylidenephosphanium?
The canonical SMILES for (cyclohexylamino)-(4-phenylphenyl)-sulfanylidenephosphanium is S=[P+](NC1CCCCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (cyclohexylamino)-(4-phenylphenyl)-sulfanylidenephosphanium?
The InChIKey is RLRGJYDBKKYUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NPS/c21-20(19-17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2,(H,19,21)/q+1.
What are the key properties of (cyclohexylamino)-(4-phenylphenyl)-sulfanylidenephosphanium?
(cyclohexylamino)-(4-phenylphenyl)-sulfanylidenephosphanium has a molecular weight of 314.41 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexylamino)-(4-phenylphenyl)-sulfanylidenephosphanium is sourced from PubChem (CID 6367069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).