2-[bis(4-cyclohexylphenyl)-phenylmethyl]pyrrolidine

C35H43N — CID 163995934

IUPAC2-[bis(4-cyclohexylphenyl)-phenylmethyl]pyrrolidine
SMILESc1ccc(C(c2ccc(C3CCCCC3)cc2)(c2ccc(C3CCCCC3)cc2)C2CCCN2)cc1
InChIInChI=1S/C35H43N/c1-4-11-27(12-5-1)29-18-22-32(23-19-29)35(34-17-10-26-36-34,31-15-8-3-9-16-31)33-24-20-30(21-25-33)28-13-6-2-7-14-28/h3,8-9,15-16,18-25,27-28,34,36H,1-2,4-7,10-14,17,26H2
InChIKeyUERQHMHJXGDJCD-UHFFFAOYSA-N
MW477.74 g/mol
LogP8.87
Rot. Bonds6

About 2-[bis(4-cyclohexylphenyl)-phenylmethyl]pyrrolidine

2-[bis(4-cyclohexylphenyl)-phenylmethyl]pyrrolidine (PubChem CID 163995934) has the molecular formula C35H43N and a molecular weight of 477.74 g/mol. Its IUPAC name is 2-[bis(4-cyclohexylphenyl)-phenylmethyl]pyrrolidine.

Molecular Properties

Compound Name2-[bis(4-cyclohexylphenyl)-phenylmethyl]pyrrolidine
PubChem CID163995934
Molecular FormulaC35H43N
Molecular Weight477.74 g/mol
Exact Mass477.34
IUPAC Name2-[bis(4-cyclohexylphenyl)-phenylmethyl]pyrrolidine
SMILESc1ccc(C(c2ccc(C3CCCCC3)cc2)(c2ccc(C3CCCCC3)cc2)C2CCCN2)cc1
InChIInChI=1S/C35H43N/c1-4-11-27(12-5-1)29-18-22-32(23-19-29)35(34-17-10-26-36-34,31-15-8-3-9-16-31)33-24-20-30(21-25-33)28-13-6-2-7-14-28/h3,8-9,15-16,18-25,27-28,34,36H,1-2,4-7,10-14,17,26H2
InChIKeyUERQHMHJXGDJCD-UHFFFAOYSA-N
XLogP8.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.74
LogP ≤ 58.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[difluoro(phenyl)methyl]azepane
CID 105483060
azepan-2-yl(diphenyl)methanamine
CID 69019093
cyclohexyl-phenyl-pyrrolidin-2-ylmethanol
CID 166041148
tert-butylbenzene;cyclohexylbenzene
CID 158089404
alpha,alpha-Diphenyl-2-pyrrolidinemethanol borane
CID 19782534
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815
4-(4-cyclohexylphenyl)azepane
CID 82300190
CID 159076923
CID 159076923
cyclohexyl-phenyl-piperidin-2-ylmethanol
CID 23856895
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
4-phenylazocane
CID 19847318
(4-chlorophenyl)-phenyl-piperidin-2-ylmethanol
CID 3064310

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-cyclohexylphenyl)-phenylmethyl]pyrrolidine?
The IUPAC name of 2-[bis(4-cyclohexylphenyl)-phenylmethyl]pyrrolidine (CID 163995934) is 2-[bis(4-cyclohexylphenyl)-phenylmethyl]pyrrolidine.
What is the SMILES notation for 2-[bis(4-cyclohexylphenyl)-phenylmethyl]pyrrolidine?
The canonical SMILES for 2-[bis(4-cyclohexylphenyl)-phenylmethyl]pyrrolidine is c1ccc(C(c2ccc(C3CCCCC3)cc2)(c2ccc(C3CCCCC3)cc2)C2CCCN2)cc1.
What is the InChIKey of 2-[bis(4-cyclohexylphenyl)-phenylmethyl]pyrrolidine?
The InChIKey is UERQHMHJXGDJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N/c1-4-11-27(12-5-1)29-18-22-32(23-19-29)35(34-17-10-26-36-34,31-15-8-3-9-16-31)33-24-20-30(21-25-33)28-13-6-2-7-14-28/h3,8-9,15-16,18-25,27-28,34,36H,1-2,4-7,10-14,17,26H2.
What are the key properties of 2-[bis(4-cyclohexylphenyl)-phenylmethyl]pyrrolidine?
2-[bis(4-cyclohexylphenyl)-phenylmethyl]pyrrolidine has a molecular weight of 477.74 g/mol, XLogP of 8.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-cyclohexylphenyl)-phenylmethyl]pyrrolidine is sourced from PubChem (CID 163995934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).