1-[bis[4-(2-cyclopropylethyl)phenyl]methyl]-4-(2-cyclopropylethyl)benzene

C34H40 — CID 156895542

IUPAC1-[bis[4-(2-cyclopropylethyl)phenyl]methyl]-4-(2-cyclopropylethyl)benzene
SMILESc1cc(C(c2ccc(CCC3CC3)cc2)c2ccc(CCC3CC3)cc2)ccc1CCC1CC1
InChIInChI=1S/C34H40/c1-2-25(1)7-10-28-13-19-31(20-14-28)34(32-21-15-29(16-22-32)11-8-26-3-4-26)33-23-17-30(18-24-33)12-9-27-5-6-27/h13-27,34H,1-12H2
InChIKeyZJESKOIIELRDPG-UHFFFAOYSA-N
MW448.69 g/mol
LogP8.89
Rot. Bonds12

About 1-[bis[4-(2-cyclopropylethyl)phenyl]methyl]-4-(2-cyclopropylethyl)benzene

1-[bis[4-(2-cyclopropylethyl)phenyl]methyl]-4-(2-cyclopropylethyl)benzene (PubChem CID 156895542) has the molecular formula C34H40 and a molecular weight of 448.69 g/mol. Its IUPAC name is 1-[bis[4-(2-cyclopropylethyl)phenyl]methyl]-4-(2-cyclopropylethyl)benzene.

Molecular Properties

Compound Name1-[bis[4-(2-cyclopropylethyl)phenyl]methyl]-4-(2-cyclopropylethyl)benzene
PubChem CID156895542
Molecular FormulaC34H40
Molecular Weight448.69 g/mol
Exact Mass448.31
IUPAC Name1-[bis[4-(2-cyclopropylethyl)phenyl]methyl]-4-(2-cyclopropylethyl)benzene
SMILESc1cc(C(c2ccc(CCC3CC3)cc2)c2ccc(CCC3CC3)cc2)ccc1CCC1CC1
InChIInChI=1S/C34H40/c1-2-25(1)7-10-28-13-19-31(20-14-28)34(32-21-15-29(16-22-32)11-8-26-3-4-26)33-23-17-30(18-24-33)12-9-27-5-6-27/h13-27,34H,1-12H2
InChIKeyZJESKOIIELRDPG-UHFFFAOYSA-N
XLogP8.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.69
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene
CID 160836362
4-(2-cyclopropylethyl)pyridine
CID 54011262
4-[2-(4-butan-2-ylphenyl)ethyl]piperidine
CID 116925672
1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene
CID 20724010
1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
CID 20632303
CID 20632303
1-bromo-4-(2-cyclohexylethyl)benzene
CID 70911699
2-[4-(2-cyclohexylethyl)phenyl]ethanamine
CID 15036641
1-chloro-4-(2-cyclohexylethyl)benzene
CID 142983439
1-(tert-butylsulfonylmethyl)-4-(2-cyclopropylethyl)benzene
CID 59545292
1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
CID 54218031
1-[2-(4-cyclohexylcyclohexyl)ethyl]-4-fluorobenzene
CID 57067777

Frequently Asked Questions

What is the IUPAC name of 1-[bis[4-(2-cyclopropylethyl)phenyl]methyl]-4-(2-cyclopropylethyl)benzene?
The IUPAC name of 1-[bis[4-(2-cyclopropylethyl)phenyl]methyl]-4-(2-cyclopropylethyl)benzene (CID 156895542) is 1-[bis[4-(2-cyclopropylethyl)phenyl]methyl]-4-(2-cyclopropylethyl)benzene.
What is the SMILES notation for 1-[bis[4-(2-cyclopropylethyl)phenyl]methyl]-4-(2-cyclopropylethyl)benzene?
The canonical SMILES for 1-[bis[4-(2-cyclopropylethyl)phenyl]methyl]-4-(2-cyclopropylethyl)benzene is c1cc(C(c2ccc(CCC3CC3)cc2)c2ccc(CCC3CC3)cc2)ccc1CCC1CC1.
What is the InChIKey of 1-[bis[4-(2-cyclopropylethyl)phenyl]methyl]-4-(2-cyclopropylethyl)benzene?
The InChIKey is ZJESKOIIELRDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40/c1-2-25(1)7-10-28-13-19-31(20-14-28)34(32-21-15-29(16-22-32)11-8-26-3-4-26)33-23-17-30(18-24-33)12-9-27-5-6-27/h13-27,34H,1-12H2.
What are the key properties of 1-[bis[4-(2-cyclopropylethyl)phenyl]methyl]-4-(2-cyclopropylethyl)benzene?
1-[bis[4-(2-cyclopropylethyl)phenyl]methyl]-4-(2-cyclopropylethyl)benzene has a molecular weight of 448.69 g/mol, XLogP of 8.89, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[4-(2-cyclopropylethyl)phenyl]methyl]-4-(2-cyclopropylethyl)benzene is sourced from PubChem (CID 156895542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).