2-N-(2,6-dibenzhydryl-4-tert-butylphenyl)-1-N-(2,6-dimethylphenyl)acenaphthylene-1,2-diamine

C56H50N2 — CID 175021403

IUPAC2-N-(2,6-dibenzhydryl-4-tert-butylphenyl)-1-N-(2,6-dimethylphenyl)acenaphthylene-1,2-diamine
SMILESCc1cccc(C)c1NC1=C(Nc2c(C(c3ccccc3)c3ccccc3)cc(C(C)(C)C)cc2C(c2ccccc2)c2ccccc2)c2cccc3cccc1c23
InChIInChI=1S/C56H50N2/c1-37-21-18-22-38(2)52(37)57-54-45-33-19-31-43-32-20-34-46(51(43)45)55(54)58-53-47(49(39-23-10-6-11-24-39)40-25-12-7-13-26-40)35-44(56(3,4)5)36-48(53)50(41-27-14-8-15-28-41)42-29-16-9-17-30-42/h6-36,49-50,57-58H,1-5H3
InChIKeyUXCSTKWNJGOVAC-UHFFFAOYSA-N
MW751.03 g/mol
LogP14.48
Rot. Bonds10

About 2-N-(2,6-dibenzhydryl-4-tert-butylphenyl)-1-N-(2,6-dimethylphenyl)acenaphthylene-1,2-diamine

2-N-(2,6-dibenzhydryl-4-tert-butylphenyl)-1-N-(2,6-dimethylphenyl)acenaphthylene-1,2-diamine (PubChem CID 175021403) has the molecular formula C56H50N2 and a molecular weight of 751.03 g/mol. Its IUPAC name is 2-N-(2,6-dibenzhydryl-4-tert-butylphenyl)-1-N-(2,6-dimethylphenyl)acenaphthylene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,6-dibenzhydryl-4-tert-butylphenyl)-1-N-(2,6-dimethylphenyl)acenaphthylene-1,2-diamine
PubChem CID175021403
Molecular FormulaC56H50N2
Molecular Weight751.03 g/mol
Exact Mass750.40
IUPAC Name2-N-(2,6-dibenzhydryl-4-tert-butylphenyl)-1-N-(2,6-dimethylphenyl)acenaphthylene-1,2-diamine
SMILESCc1cccc(C)c1NC1=C(Nc2c(C(c3ccccc3)c3ccccc3)cc(C(C)(C)C)cc2C(c2ccccc2)c2ccccc2)c2cccc3cccc1c23
InChIInChI=1S/C56H50N2/c1-37-21-18-22-38(2)52(37)57-54-45-33-19-31-43-32-20-34-46(51(43)45)55(54)58-53-47(49(39-23-10-6-11-24-39)40-25-12-7-13-26-40)35-44(56(3,4)5)36-48(53)50(41-27-14-8-15-28-41)42-29-16-9-17-30-42/h6-36,49-50,57-58H,1-5H3
InChIKeyUXCSTKWNJGOVAC-UHFFFAOYSA-N
XLogP14.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.03
LogP ≤ 514.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2,6-dibenzhydryl-4-tert-butylphenyl)-1-N-(2,6-diethylphenyl)acenaphthylene-1,2-diamine
CID 175020300
1-N,2-N-bis(2-benzhydryl-4,6-dimethylphenyl)acenaphthylene-1,2-diimine
CID 132837350
2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-dimethylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine
CID 141261148
1-N,2-N-bis(4-tert-butyl-2,6-dimethylphenyl)acenaphthylene-1,2-diimine
CID 20789308
1-benzhydryl-5-tert-butyl-2-methoxy-3-methylbenzene;ethane
CID 145349337
(2-benzhydryl-4-tert-butyl-6-methylphenoxy)phosphane;ethane
CID 145139509
2-(2-benzhydryl-4,6-dimethylanilino)-2H-acenaphthylen-1-one
CID 141261143
7,25-bis(4-tert-butyl-2,6-dimethylphenyl)decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5,7,9,11,13,15(38),16,18,20,22,24,27,29,31,33(37),34-nonadecaene
CID 58471068
2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2-methyl-6-octylphenyl)acenaphthylene-1,2-diimine
CID 177394081
2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-[2,6-di(propan-2-yl)phenyl]-1,2-dihydroacenaphthylene-1,2-diamine
CID 141261142
2-benzhydryl-6-methylphenol
CID 154120751
2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-diethyl-4-methylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine
CID 141261138

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dibenzhydryl-4-tert-butylphenyl)-1-N-(2,6-dimethylphenyl)acenaphthylene-1,2-diamine?
The IUPAC name of 2-N-(2,6-dibenzhydryl-4-tert-butylphenyl)-1-N-(2,6-dimethylphenyl)acenaphthylene-1,2-diamine (CID 175021403) is 2-N-(2,6-dibenzhydryl-4-tert-butylphenyl)-1-N-(2,6-dimethylphenyl)acenaphthylene-1,2-diamine.
What is the SMILES notation for 2-N-(2,6-dibenzhydryl-4-tert-butylphenyl)-1-N-(2,6-dimethylphenyl)acenaphthylene-1,2-diamine?
The canonical SMILES for 2-N-(2,6-dibenzhydryl-4-tert-butylphenyl)-1-N-(2,6-dimethylphenyl)acenaphthylene-1,2-diamine is Cc1cccc(C)c1NC1=C(Nc2c(C(c3ccccc3)c3ccccc3)cc(C(C)(C)C)cc2C(c2ccccc2)c2ccccc2)c2cccc3cccc1c23.
What is the InChIKey of 2-N-(2,6-dibenzhydryl-4-tert-butylphenyl)-1-N-(2,6-dimethylphenyl)acenaphthylene-1,2-diamine?
The InChIKey is UXCSTKWNJGOVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50N2/c1-37-21-18-22-38(2)52(37)57-54-45-33-19-31-43-32-20-34-46(51(43)45)55(54)58-53-47(49(39-23-10-6-11-24-39)40-25-12-7-13-26-40)35-44(56(3,4)5)36-48(53)50(41-27-14-8-15-28-41)42-29-16-9-17-30-42/h6-36,49-50,57-58H,1-5H3.
What are the key properties of 2-N-(2,6-dibenzhydryl-4-tert-butylphenyl)-1-N-(2,6-dimethylphenyl)acenaphthylene-1,2-diamine?
2-N-(2,6-dibenzhydryl-4-tert-butylphenyl)-1-N-(2,6-dimethylphenyl)acenaphthylene-1,2-diamine has a molecular weight of 751.03 g/mol, XLogP of 14.48, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dibenzhydryl-4-tert-butylphenyl)-1-N-(2,6-dimethylphenyl)acenaphthylene-1,2-diamine is sourced from PubChem (CID 175021403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).