1-[2,6-di(propan-2-yl)phenyl]-2,4-dimethyl-2,4-diphenylpyrrolidine

C30H37N — CID 162435803

IUPAC1-[2,6-di(propan-2-yl)phenyl]-2,4-dimethyl-2,4-diphenylpyrrolidine
SMILESCC(C)c1cccc(C(C)C)c1N1CC(C)(c2ccccc2)CC1(C)c1ccccc1
InChIInChI=1S/C30H37N/c1-22(2)26-18-13-19-27(23(3)4)28(26)31-21-29(5,24-14-9-7-10-15-24)20-30(31,6)25-16-11-8-12-17-25/h7-19,22-23H,20-21H2,1-6H3
InChIKeyGFNCMUWTMOZAQL-UHFFFAOYSA-N
MW411.63 g/mol
LogP8.02
Rot. Bonds5

About 1-[2,6-di(propan-2-yl)phenyl]-2,4-dimethyl-2,4-diphenylpyrrolidine

1-[2,6-di(propan-2-yl)phenyl]-2,4-dimethyl-2,4-diphenylpyrrolidine (PubChem CID 162435803) has the molecular formula C30H37N and a molecular weight of 411.63 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-2,4-dimethyl-2,4-diphenylpyrrolidine.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-2,4-dimethyl-2,4-diphenylpyrrolidine
PubChem CID162435803
Molecular FormulaC30H37N
Molecular Weight411.63 g/mol
Exact Mass411.29
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-2,4-dimethyl-2,4-diphenylpyrrolidine
SMILESCC(C)c1cccc(C(C)C)c1N1CC(C)(c2ccccc2)CC1(C)c1ccccc1
InChIInChI=1S/C30H37N/c1-22(2)26-18-13-19-27(23(3)4)28(26)31-21-29(5,24-14-9-7-10-15-24)20-30(31,6)25-16-11-8-12-17-25/h7-19,22-23H,20-21H2,1-6H3
InChIKeyGFNCMUWTMOZAQL-UHFFFAOYSA-N
XLogP8.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.63
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4-trimethyl-4-phenylpyrrolidine
CID 171726440
(4S)-2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-phenylpyrrolidine
CID 171726444
2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-[4-(2-methylpropyl)phenyl]pyrrolidine
CID 170637341
(2R)-1,2-dimethyl-2-phenylaziridine
CID 102030003
(4R)-1-[2,6-di(propan-2-yl)phenyl]-4-ethyl-2,2-dimethyl-4-propylpyrrolidine
CID 145493199
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,4-dimethylimidazolidine
CID 71019583
3-methyl-3-phenyl-1-propan-2-ylazetidine
CID 121277352
(5S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4,5-pentamethylpyrrolidine
CID 155647792
1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaborolidine
CID 102596424
[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-ylidene]phosphanide
CID 139125846
[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-yl]-[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-yl]boranylideneborane
CID 102338200

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2,4-dimethyl-2,4-diphenylpyrrolidine?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2,4-dimethyl-2,4-diphenylpyrrolidine (CID 162435803) is 1-[2,6-di(propan-2-yl)phenyl]-2,4-dimethyl-2,4-diphenylpyrrolidine.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-2,4-dimethyl-2,4-diphenylpyrrolidine?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-2,4-dimethyl-2,4-diphenylpyrrolidine is CC(C)c1cccc(C(C)C)c1N1CC(C)(c2ccccc2)CC1(C)c1ccccc1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-2,4-dimethyl-2,4-diphenylpyrrolidine?
The InChIKey is GFNCMUWTMOZAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N/c1-22(2)26-18-13-19-27(23(3)4)28(26)31-21-29(5,24-14-9-7-10-15-24)20-30(31,6)25-16-11-8-12-17-25/h7-19,22-23H,20-21H2,1-6H3.
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-2,4-dimethyl-2,4-diphenylpyrrolidine?
1-[2,6-di(propan-2-yl)phenyl]-2,4-dimethyl-2,4-diphenylpyrrolidine has a molecular weight of 411.63 g/mol, XLogP of 8.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-2,4-dimethyl-2,4-diphenylpyrrolidine is sourced from PubChem (CID 162435803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).