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

C56H52N2 — CID 141261138

IUPAC2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-diethyl-4-methylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine
SMILESCCc1cc(C)cc(CC)c1NC1c2cccc3cccc(c23)C1Nc1c(C(c2ccccc2)c2ccccc2)cc(C)cc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C56H52N2/c1-5-39-33-37(3)34-40(6-2)53(39)57-55-46-31-19-29-45-30-20-32-47(52(45)46)56(55)58-54-48(50(41-21-11-7-12-22-41)42-23-13-8-14-24-42)35-38(4)36-49(54)51(43-25-15-9-16-26-43)44-27-17-10-18-28-44/h7-36,50-51,55-58H,5-6H2,1-4H3
InChIKeyPEYUEZWKKSUURU-UHFFFAOYSA-N
MW753.05 g/mol
LogP14.26
Rot. Bonds12

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

2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-diethyl-4-methylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine (PubChem CID 141261138) has the molecular formula C56H52N2 and a molecular weight of 753.05 g/mol. Its IUPAC name is 2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-diethyl-4-methylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-diethyl-4-methylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine
PubChem CID141261138
Molecular FormulaC56H52N2
Molecular Weight753.05 g/mol
Exact Mass752.41
IUPAC Name2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-diethyl-4-methylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine
SMILESCCc1cc(C)cc(CC)c1NC1c2cccc3cccc(c23)C1Nc1c(C(c2ccccc2)c2ccccc2)cc(C)cc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C56H52N2/c1-5-39-33-37(3)34-40(6-2)53(39)57-55-46-31-19-29-45-30-20-32-47(52(45)46)56(55)58-54-48(50(41-21-11-7-12-22-41)42-23-13-8-14-24-42)35-38(4)36-49(54)51(43-25-15-9-16-26-43)44-27-17-10-18-28-44/h7-36,50-51,55-58H,5-6H2,1-4H3
InChIKeyPEYUEZWKKSUURU-UHFFFAOYSA-N
XLogP14.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.05
LogP ≤ 514.26
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-dimethylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine
CID 141261148
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-bis[bis(4-methoxyphenyl)methyl]-4-(trifluoromethyl)phenyl]-1-N-(2,6-diethylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine
CID 169086609
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
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-bis[bis(4-fluorophenyl)methyl]-4-methylphenyl]-1-N-(2,6-diethylphenyl)acenaphthylene-1,2-diimine
CID 122401623
2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2-methyl-6-octylphenyl)acenaphthylene-1,2-diimine
CID 177394081
1-N-[2-[bis(4-fluorophenyl)methyl]-4,6-dimethylphenyl]-2-N-(2,6-diethylphenyl)acenaphthylene-1,2-diimine
CID 122229833
(3R)-8-benzhydryl-N-(2,6-dibenzhydryl-4-methylphenyl)-6-methyl-4,4-diphenyl-2,3-dihydro-1H-quinolin-3-amine;ethoxyethane
CID 139158630

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-diethyl-4-methylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine?
The IUPAC name of 2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-diethyl-4-methylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine (CID 141261138) is 2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-diethyl-4-methylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine.
What is the SMILES notation for 2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-diethyl-4-methylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine?
The canonical SMILES for 2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-diethyl-4-methylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine is CCc1cc(C)cc(CC)c1NC1c2cccc3cccc(c23)C1Nc1c(C(c2ccccc2)c2ccccc2)cc(C)cc1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-diethyl-4-methylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine?
The InChIKey is PEYUEZWKKSUURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H52N2/c1-5-39-33-37(3)34-40(6-2)53(39)57-55-46-31-19-29-45-30-20-32-47(52(45)46)56(55)58-54-48(50(41-21-11-7-12-22-41)42-23-13-8-14-24-42)35-38(4)36-49(54)51(43-25-15-9-16-26-43)44-27-17-10-18-28-44/h7-36,50-51,55-58H,5-6H2,1-4H3.
What are the key properties of 2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-diethyl-4-methylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine?
2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-(2,6-diethyl-4-methylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine has a molecular weight of 753.05 g/mol, XLogP of 14.26, 12 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-diethyl-4-methylphenyl)-1,2-dihydroacenaphthylene-1,2-diamine is sourced from PubChem (CID 141261138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).