2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-dimethylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine

C53H46N2 — CID 141261148

IUPAC2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-dimethylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine
SMILESCc1cc(C(c2ccccc2)c2ccccc2)c(NC2c3cccc4cccc(c34)C2Nc2c(C)cccc2C)c(C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C53H46N2/c1-35-33-45(47(38-21-8-4-9-22-38)39-23-10-5-11-24-39)51(46(34-35)48(40-25-12-6-13-26-40)41-27-14-7-15-28-41)55-53-44-32-18-30-42-29-17-31-43(49(42)44)52(53)54-50-36(2)19-16-20-37(50)3/h4-34,47-48,52-55H,1-3H3
InChIKeyJAWBZTQYJDIVIQ-UHFFFAOYSA-N
MW710.97 g/mol
LogP13.45
Rot. Bonds10

About 2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-dimethylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine

2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-dimethylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine (PubChem CID 141261148) has the molecular formula C53H46N2 and a molecular weight of 710.97 g/mol. Its IUPAC name is 2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-dimethylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-dimethylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine
PubChem CID141261148
Molecular FormulaC53H46N2
Molecular Weight710.97 g/mol
Exact Mass710.37
IUPAC Name2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-dimethylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine
SMILESCc1cc(C(c2ccccc2)c2ccccc2)c(NC2c3cccc4cccc(c34)C2Nc2c(C)cccc2C)c(C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C53H46N2/c1-35-33-45(47(38-21-8-4-9-22-38)39-23-10-5-11-24-39)51(46(34-35)48(40-25-12-6-13-26-40)41-27-14-7-15-28-41)55-53-44-32-18-30-42-29-17-31-43(49(42)44)52(53)54-50-36(2)19-16-20-37(50)3/h4-34,47-48,52-55H,1-3H3
InChIKeyJAWBZTQYJDIVIQ-UHFFFAOYSA-N
XLogP13.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.97
LogP ≤ 513.45
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-methylphenyl)-1-N-[2,6-di(propan-2-yl)phenyl]-1,2-dihydroacenaphthylene-1,2-diamine
CID 141261142
2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-diethyl-4-methylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine
CID 141261138
2-(2-benzhydryl-4,6-dimethylanilino)-2H-acenaphthylen-1-one
CID 141261143
2-N-[2,6-bis[bis(4-fluorophenyl)methyl]-4-fluorophenyl]-1-N-[2,6-di(propan-2-yl)phenyl]-1,2-dihydroacenaphthylene-1,2-diamine
CID 141477277
1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]-1,2-dihydroacenaphthylene-1,2-diamine
CID 5254671
1-N,2-N-bis(2-benzhydryl-4,6-dimethylphenyl)acenaphthylene-1,2-diimine
CID 132837350
2-N-(2,6-dibenzhydryl-4-tert-butylphenyl)-1-N-(2,6-dimethylphenyl)acenaphthylene-1,2-diamine
CID 175021403
2-N-[2,6-bis[bis(4-methoxyphenyl)methyl]-4-(trifluoromethyl)phenyl]-1-N-(2,6-diethylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine
CID 169086609
2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2-methyl-6-octylphenyl)acenaphthylene-1,2-diimine
CID 177394081
1,8-dimethylnaphthalene;bis(1,3,6,8-tetramethylnaphthalene)
CID 159825938
2-benzhydryl-6-methylphenol
CID 154120751
1-methylnaphthalene;1-[[4-(4-methylphenyl)phenyl]-phenylmethyl]naphthalene;toluene
CID 142867953

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-dimethylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine?
The IUPAC name of 2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-dimethylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine (CID 141261148) is 2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-dimethylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine.
What is the SMILES notation for 2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-dimethylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine?
The canonical SMILES for 2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-dimethylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine is Cc1cc(C(c2ccccc2)c2ccccc2)c(NC2c3cccc4cccc(c34)C2Nc2c(C)cccc2C)c(C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-dimethylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine?
The InChIKey is JAWBZTQYJDIVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H46N2/c1-35-33-45(47(38-21-8-4-9-22-38)39-23-10-5-11-24-39)51(46(34-35)48(40-25-12-6-13-26-40)41-27-14-7-15-28-41)55-53-44-32-18-30-42-29-17-31-43(49(42)44)52(53)54-50-36(2)19-16-20-37(50)3/h4-34,47-48,52-55H,1-3H3.
What are the key properties of 2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-dimethylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine?
2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-dimethylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine has a molecular weight of 710.97 g/mol, XLogP of 13.45, 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-methylphenyl)-1-N-(2,6-dimethylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine is sourced from PubChem (CID 141261148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).