2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine

C56H54N2 — CID 121383915

IUPAC2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine
SMILESCc1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc(-c3ccccc3)c3cc(N(c4ccc(C)cc4)c4ccc(C(C)(C)C)cc4)cc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C56H54N2/c1-39-19-27-45(28-20-39)57(47-31-23-43(24-32-47)55(3,4)5)49-35-51(41-15-11-9-12-16-41)54-38-50(36-52(53(54)37-49)42-17-13-10-14-18-42)58(46-29-21-40(2)22-30-46)48-33-25-44(26-34-48)56(6,7)8/h9-38H,1-8H3
InChIKeyFIIGCRBVYLSSKM-UHFFFAOYSA-N
MW755.06 g/mol
LogP16.33
Rot. Bonds8

About 2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine

2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine (PubChem CID 121383915) has the molecular formula C56H54N2 and a molecular weight of 755.06 g/mol. Its IUPAC name is 2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine
PubChem CID121383915
Molecular FormulaC56H54N2
Molecular Weight755.06 g/mol
Exact Mass754.43
IUPAC Name2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine
SMILESCc1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc(-c3ccccc3)c3cc(N(c4ccc(C)cc4)c4ccc(C(C)(C)C)cc4)cc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C56H54N2/c1-39-19-27-45(28-20-39)57(47-31-23-43(24-32-47)55(3,4)5)49-35-51(41-15-11-9-12-16-41)54-38-50(36-52(53(54)37-49)42-17-13-10-14-18-42)58(46-29-21-40(2)22-30-46)48-33-25-44(26-34-48)56(6,7)8/h9-38H,1-8H3
InChIKeyFIIGCRBVYLSSKM-UHFFFAOYSA-N
XLogP16.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.06
LogP ≤ 516.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-N-methyl-2-N-[4-(3-methylpentan-3-yl)phenyl]-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine
CID 144989077
N,N-bis(4-tert-butylphenyl)-4-methyl-3-phenylaniline
CID 139326805
1-N,3-N,5-N-tris(4-tert-butylphenyl)-1-N,3-N,5-N-tris(4-methylphenyl)benzene-1,3,5-triamine
CID 22900171
1-N,3-N-bis(4-tert-butylphenyl)-1-N,3-N,5-tris(4-phenylphenyl)benzene-1,3-diamine
CID 90097412
2-N,7-N-bis(4-tert-butylphenyl)-9,10-dimethyl-2-N-(4-methylphenyl)-7-N-phenylphenanthrene-2,7-diamine
CID 144657375
N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline
CID 134425789
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134368456
N-[4-[3-tert-butyl-12-[4-(N-(4-phenylphenyl)anilino)phenyl]chrysen-6-yl]phenyl]-N,4-diphenylaniline
CID 59413670
5-N,18-N-bis(4-tert-butylphenyl)-5-N,18-N-bis(4-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene-5,18-diamine
CID 89010517
2-N,6-N-bis(4-tert-butylphenyl)-4-methyl-2-N,6-N-diphenylnaphthalene-2,6-diamine;2-N,6-N-bis(3,4-dimethylphenyl)-4-ethyl-8-methyl-2-N,6-N-diphenylnaphthalene-2,6-diamine;2-N,6-N-bis(3,4-dimethylphenyl)-4-methyl-2-N,6-N-diphenylnaphthalene-2,6-diamine;4-methyl-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-bis(4-phenoxyphenyl)-8-phenylnaphthalene-2,6-diamine
CID 158501370
3-tert-butyl-N-(4-methylphenyl)-N-(4-phenylphenyl)aniline
CID 176854873
5-tert-butyl-1-N,3-N-bis[4-(3,5-diphenylphenyl)-3,5-diphenylphenyl]-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 171445880

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine?
The IUPAC name of 2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine (CID 121383915) is 2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine.
What is the SMILES notation for 2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine?
The canonical SMILES for 2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine is Cc1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc(-c3ccccc3)c3cc(N(c4ccc(C)cc4)c4ccc(C(C)(C)C)cc4)cc(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine?
The InChIKey is FIIGCRBVYLSSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H54N2/c1-39-19-27-45(28-20-39)57(47-31-23-43(24-32-47)55(3,4)5)49-35-51(41-15-11-9-12-16-41)54-38-50(36-52(53(54)37-49)42-17-13-10-14-18-42)58(46-29-21-40(2)22-30-46)48-33-25-44(26-34-48)56(6,7)8/h9-38H,1-8H3.
What are the key properties of 2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine?
2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine has a molecular weight of 755.06 g/mol, XLogP of 16.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine is sourced from PubChem (CID 121383915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).