N-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine

C30H37N — CID 164931155

IUPACN-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
SMILES[2H]c1c([2H])c([2H])c(-c2cc(C(C)(C)C)ccc2Nc2ccc3c(c2)C(C)(C)CCC3(C)C)c([2H])c1[2H]
InChIInChI=1S/C30H37N/c1-28(2,3)22-13-16-27(24(19-22)21-11-9-8-10-12-21)31-23-14-15-25-26(20-23)30(6,7)18-17-29(25,4)5/h8-16,19-20,31H,17-18H2,1-7H3/i8D,9D,10D,11D,12D
InChIKeyOOORGTJGJIALDC-AERUFEGBSA-N
MW416.66 g/mol
LogP8.74
Rot. Bonds3

About N-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine

N-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine (PubChem CID 164931155) has the molecular formula C30H37N and a molecular weight of 416.66 g/mol. Its IUPAC name is N-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
PubChem CID164931155
Molecular FormulaC30H37N
Molecular Weight416.66 g/mol
Exact Mass416.32
IUPAC NameN-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
SMILES[2H]c1c([2H])c([2H])c(-c2cc(C(C)(C)C)ccc2Nc2ccc3c(c2)C(C)(C)CCC3(C)C)c([2H])c1[2H]
InChIInChI=1S/C30H37N/c1-28(2,3)22-13-16-27(24(19-22)21-11-9-8-10-12-21)31-23-14-15-25-26(20-23)30(6,7)18-17-29(25,4)5/h8-16,19-20,31H,17-18H2,1-7H3/i8D,9D,10D,11D,12D
InChIKeyOOORGTJGJIALDC-AERUFEGBSA-N
XLogP8.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.66
LogP ≤ 58.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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
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
12-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5,5,8,8,15,22,22,25,25-nonamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4(9),10,13,15,17(29),19,21(26),27-nonaene
CID 166497521
1,2,3,4,5-pentadeuterio-6-(2,5-ditert-butylphenyl)benzene
CID 166010763
3-tert-butyl-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene
CID 169030071
5,5,8,8-tetramethyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydronaphthalen-2-amine
CID 174330207
5,5,8,8-tetramethyl-N-naphthalen-1-yl-6,7-dihydronaphthalen-2-amine
CID 170774428
hydroxy-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]phenyl]azanium
CID 142949513
5,5,8,8-tetramethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydrobenzo[f][1]benzothiol-3-amine
CID 155595926

Frequently Asked Questions

What is the IUPAC name of N-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
The IUPAC name of N-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine (CID 164931155) is N-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine.
What is the SMILES notation for N-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
The canonical SMILES for N-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine is [2H]c1c([2H])c([2H])c(-c2cc(C(C)(C)C)ccc2Nc2ccc3c(c2)C(C)(C)CCC3(C)C)c([2H])c1[2H].
What is the InChIKey of N-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
The InChIKey is OOORGTJGJIALDC-AERUFEGBSA-N. The full InChI is InChI=1S/C30H37N/c1-28(2,3)22-13-16-27(24(19-22)21-11-9-8-10-12-21)31-23-14-15-25-26(20-23)30(6,7)18-17-29(25,4)5/h8-16,19-20,31H,17-18H2,1-7H3/i8D,9D,10D,11D,12D.
What are the key properties of N-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
N-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine has a molecular weight of 416.66 g/mol, XLogP of 8.74, 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-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine is sourced from PubChem (CID 164931155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).