2-tert-butyl-6-[6-[3-tert-butyl-2-(dimethylamino)phenyl]-3H-inden-5-yl]-N,N-dimethylaniline

C33H42N2 — CID 68620380

IUPAC2-tert-butyl-6-[6-[3-tert-butyl-2-(dimethylamino)phenyl]-3H-inden-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1c(-c2cc3c(cc2-c2cccc(C(C)(C)C)c2N(C)C)CC=C3)cccc1C(C)(C)C
InChIInChI=1S/C33H42N2/c1-32(2,3)28-18-12-16-24(30(28)34(7)8)26-20-22-14-11-15-23(22)21-27(26)25-17-13-19-29(33(4,5)6)31(25)35(9)10/h11-14,16-21H,15H2,1-10H3
InChIKeyKIKOXLBFAUGZBP-UHFFFAOYSA-N
MW466.71 g/mol
LogP8.32
Rot. Bonds4

About 2-tert-butyl-6-[6-[3-tert-butyl-2-(dimethylamino)phenyl]-3H-inden-5-yl]-N,N-dimethylaniline

2-tert-butyl-6-[6-[3-tert-butyl-2-(dimethylamino)phenyl]-3H-inden-5-yl]-N,N-dimethylaniline (PubChem CID 68620380) has the molecular formula C33H42N2 and a molecular weight of 466.71 g/mol. Its IUPAC name is 2-tert-butyl-6-[6-[3-tert-butyl-2-(dimethylamino)phenyl]-3H-inden-5-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-tert-butyl-6-[6-[3-tert-butyl-2-(dimethylamino)phenyl]-3H-inden-5-yl]-N,N-dimethylaniline
PubChem CID68620380
Molecular FormulaC33H42N2
Molecular Weight466.71 g/mol
Exact Mass466.33
IUPAC Name2-tert-butyl-6-[6-[3-tert-butyl-2-(dimethylamino)phenyl]-3H-inden-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1c(-c2cc3c(cc2-c2cccc(C(C)(C)C)c2N(C)C)CC=C3)cccc1C(C)(C)C
InChIInChI=1S/C33H42N2/c1-32(2,3)28-18-12-16-24(30(28)34(7)8)26-20-22-14-11-15-23(22)21-27(26)25-17-13-19-29(33(4,5)6)31(25)35(9)10/h11-14,16-21H,15H2,1-10H3
InChIKeyKIKOXLBFAUGZBP-UHFFFAOYSA-N
XLogP8.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.71
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[6-[3-tert-butyl-2-(dimethylamino)phenyl]-3H-inden-5-yl]-N,N-dimethylaniline?
The IUPAC name of 2-tert-butyl-6-[6-[3-tert-butyl-2-(dimethylamino)phenyl]-3H-inden-5-yl]-N,N-dimethylaniline (CID 68620380) is 2-tert-butyl-6-[6-[3-tert-butyl-2-(dimethylamino)phenyl]-3H-inden-5-yl]-N,N-dimethylaniline.
What is the SMILES notation for 2-tert-butyl-6-[6-[3-tert-butyl-2-(dimethylamino)phenyl]-3H-inden-5-yl]-N,N-dimethylaniline?
The canonical SMILES for 2-tert-butyl-6-[6-[3-tert-butyl-2-(dimethylamino)phenyl]-3H-inden-5-yl]-N,N-dimethylaniline is CN(C)c1c(-c2cc3c(cc2-c2cccc(C(C)(C)C)c2N(C)C)CC=C3)cccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-6-[6-[3-tert-butyl-2-(dimethylamino)phenyl]-3H-inden-5-yl]-N,N-dimethylaniline?
The InChIKey is KIKOXLBFAUGZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N2/c1-32(2,3)28-18-12-16-24(30(28)34(7)8)26-20-22-14-11-15-23(22)21-27(26)25-17-13-19-29(33(4,5)6)31(25)35(9)10/h11-14,16-21H,15H2,1-10H3.
What are the key properties of 2-tert-butyl-6-[6-[3-tert-butyl-2-(dimethylamino)phenyl]-3H-inden-5-yl]-N,N-dimethylaniline?
2-tert-butyl-6-[6-[3-tert-butyl-2-(dimethylamino)phenyl]-3H-inden-5-yl]-N,N-dimethylaniline has a molecular weight of 466.71 g/mol, XLogP of 8.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[6-[3-tert-butyl-2-(dimethylamino)phenyl]-3H-inden-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 68620380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).