N-[4-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine

C38H51N — CID 155595906

IUPACN-[4-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
SMILESCC(C)(C)c1ccc(Nc2ccc3c(c2)C(C)(C)CCC3(C)C)c(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c1
InChIInChI=1S/C38H51N/c1-34(2,3)26-13-17-33(39-27-14-16-30-32(24-27)38(10,11)21-19-36(30,6)7)28(23-26)25-12-15-29-31(22-25)37(8,9)20-18-35(29,4)5/h12-17,22-24,39H,18-21H2,1-11H3
InChIKeyZQCXFLYHVCFLKC-UHFFFAOYSA-N
MW521.83 g/mol
LogP11.09
Rot. Bonds3

About N-[4-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine

N-[4-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine (PubChem CID 155595906) has the molecular formula C38H51N and a molecular weight of 521.83 g/mol. Its IUPAC name is N-[4-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
PubChem CID155595906
Molecular FormulaC38H51N
Molecular Weight521.83 g/mol
Exact Mass521.40
IUPAC NameN-[4-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
SMILESCC(C)(C)c1ccc(Nc2ccc3c(c2)C(C)(C)CCC3(C)C)c(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c1
InChIInChI=1S/C38H51N/c1-34(2,3)26-13-17-33(39-27-14-16-30-32(24-27)38(10,11)21-19-36(30,6)7)28(23-26)25-12-15-29-31(22-25)37(8,9)20-18-35(29,4)5/h12-17,22-24,39H,18-21H2,1-11H3
InChIKeyZQCXFLYHVCFLKC-UHFFFAOYSA-N
XLogP11.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.83
LogP ≤ 511.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[4-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine with MolForge

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Related Compounds

N-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
CID 164931155
N-(4-tert-butyl-2-methylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
CID 155595921
N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-9,9,10,10-tetramethylanthracen-2-amine
CID 166497801
3,5,5,8,8-pentamethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine
CID 155595920
N-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine
CID 164550755
6-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 170942414
5,5,8,8-tetramethyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydronaphthalen-2-amine
CID 174330207
3-tert-butyl-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene
CID 169030071
5-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine
CID 118300467
N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449602
5,5,8,8-tetramethyl-N-naphthalen-1-yl-6,7-dihydronaphthalen-2-amine
CID 170774428
4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
CID 155120070

Frequently Asked Questions

What is the IUPAC name of N-[4-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
The IUPAC name of N-[4-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine (CID 155595906) is N-[4-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine.
What is the SMILES notation for N-[4-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
The canonical SMILES for N-[4-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine is CC(C)(C)c1ccc(Nc2ccc3c(c2)C(C)(C)CCC3(C)C)c(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c1.
What is the InChIKey of N-[4-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
The InChIKey is ZQCXFLYHVCFLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H51N/c1-34(2,3)26-13-17-33(39-27-14-16-30-32(24-27)38(10,11)21-19-36(30,6)7)28(23-26)25-12-15-29-31(22-25)37(8,9)20-18-35(29,4)5/h12-17,22-24,39H,18-21H2,1-11H3.
What are the key properties of N-[4-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
N-[4-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine has a molecular weight of 521.83 g/mol, XLogP of 11.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine is sourced from PubChem (CID 155595906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).