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

C178H164N8O2 — CID 158501370

IUPAC2-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
SMILESCCc1cc(N(c2ccccc2)c2ccc(C)c(C)c2)cc2c(C)cc(N(c3ccccc3)c3ccc(C)c(C)c3)cc12.Cc1cc(N(c2ccccc2)c2ccc(C(C)(C)C)cc2)cc2ccc(N(c3ccccc3)c3ccc(C(C)(C)C)cc3)cc12.Cc1ccc(N(c2ccc(Oc3ccccc3)cc2)c2cc(-c3ccccc3)c3cc(N(c4ccc(C)cc4)c4ccc(Oc5ccccc5)cc4)cc(C)c3c2)cc1.Cc1ccc(N(c2ccccc2)c2cc(C)c3cc(N(c4ccccc4)c4ccc(C)c(C)c4)ccc3c2)cc1C
InChIInChI=1S/C55H44N2O2.C43H44N2.C41H40N2.C39H36N2/c1-39-19-23-43(24-20-39)56(45-27-31-51(32-28-45)58-49-15-9-5-10-16-49)47-35-41(3)53-36-48(37-54(55(53)38-47)42-13-7-4-8-14-42)57(44-25-21-40(2)22-26-44)46-29-33-52(34-30-46)59-50-17-11-6-12-18-50;1-31-28-40(45(36-16-12-9-13-17-36)38-26-21-34(22-27-38)43(5,6)7)29-32-18-23-39(30-41(31)32)44(35-14-10-8-11-15-35)37-24-19-33(20-25-37)42(2,3)4;1-7-33-25-39(43(35-16-12-9-13-17-35)37-21-19-29(3)31(5)23-37)26-40-32(6)24-38(27-41(33)40)42(34-14-10-8-11-15-34)36-20-18-28(2)30(4)22-36;1-27-16-19-35(22-29(27)3)40(33-12-8-6-9-13-33)37-21-18-32-25-38(24-31(5)39(32)26-37)41(34-14-10-7-11-15-34)36-20-17-28(2)30(4)23-36/h4-38H,1-3H3;8-30H,1-7H3;8-27H,7H2,1-6H3;6-26H,1-5H3
InChIKeyHJXYXWAGMKYEJW-UHFFFAOYSA-N
MW2447.32 g/mol
LogP51.84
Rot. Bonds30

About 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

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 (PubChem CID 158501370) has the molecular formula C178H164N8O2 and a molecular weight of 2447.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID158501370
Molecular FormulaC178H164N8O2
Molecular Weight2447.32 g/mol
Exact Mass2445.30
IUPAC Name2-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
SMILESCCc1cc(N(c2ccccc2)c2ccc(C)c(C)c2)cc2c(C)cc(N(c3ccccc3)c3ccc(C)c(C)c3)cc12.Cc1cc(N(c2ccccc2)c2ccc(C(C)(C)C)cc2)cc2ccc(N(c3ccccc3)c3ccc(C(C)(C)C)cc3)cc12.Cc1ccc(N(c2ccc(Oc3ccccc3)cc2)c2cc(-c3ccccc3)c3cc(N(c4ccc(C)cc4)c4ccc(Oc5ccccc5)cc4)cc(C)c3c2)cc1.Cc1ccc(N(c2ccccc2)c2cc(C)c3cc(N(c4ccccc4)c4ccc(C)c(C)c4)ccc3c2)cc1C
InChIInChI=1S/C55H44N2O2.C43H44N2.C41H40N2.C39H36N2/c1-39-19-23-43(24-20-39)56(45-27-31-51(32-28-45)58-49-15-9-5-10-16-49)47-35-41(3)53-36-48(37-54(55(53)38-47)42-13-7-4-8-14-42)57(44-25-21-40(2)22-26-44)46-29-33-52(34-30-46)59-50-17-11-6-12-18-50;1-31-28-40(45(36-16-12-9-13-17-36)38-26-21-34(22-27-38)43(5,6)7)29-32-18-23-39(30-41(31)32)44(35-14-10-8-11-15-35)37-24-19-33(20-25-37)42(2,3)4;1-7-33-25-39(43(35-16-12-9-13-17-35)37-21-19-29(3)31(5)23-37)26-40-32(6)24-38(27-41(33)40)42(34-14-10-8-11-15-34)36-20-18-28(2)30(4)22-36;1-27-16-19-35(22-29(27)3)40(33-12-8-6-9-13-33)37-21-18-32-25-38(24-31(5)39(32)26-37)41(34-14-10-7-11-15-34)36-20-17-28(2)30(4)23-36/h4-38H,1-3H3;8-30H,1-7H3;8-27H,7H2,1-6H3;6-26H,1-5H3
InChIKeyHJXYXWAGMKYEJW-UHFFFAOYSA-N
XLogP51.84
TPSA44.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds30
Heavy Atoms188
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002447.32
LogP ≤ 551.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine
CID 121383915
4-methyl-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenylnaphthalene-2,6-diamine
CID 71210599
N,N-bis(4-tert-butylphenyl)-4-methyl-3-phenylaniline
CID 139326805
N-[4-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenoxy]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline
CID 71277268
16-(4-tert-butylphenyl)-N-(4-methylphenyl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032395
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
2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754908
N-(4-methoxyphenyl)-N-(4-methylphenyl)-9-phenylphenanthren-2-amine
CID 20685687
N-[4-(4-methylphenyl)phenyl]-N-phenyl-3-[4-(N-phenylanilino)phenoxy]aniline
CID 71009566
12,27-ditert-butyl-7-N,22-N-bis(4-methylphenyl)-7-N,22-N-dinaphthalen-2-ylheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene-7,22-diamine;7-N,22-N-dinaphthalen-2-yl-7-N,22-N-bis(4-phenylphenyl)heptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),2,4(9),5,7,10,12,14,16,19(24),20,22,25,27,29-pentadecaene-7,22-diamine
CID 160957553
N-(4-methylphenyl)-N-phenyl-6-(8-phenylbenzo[c]phenanthren-5-yl)naphthalen-2-amine
CID 59282472
ethane;9-ethylphenanthrene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline
CID 143269101

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cc(N(c2ccccc2)c2ccc(C)c(C)c2)cc2c(C)cc(N(c3ccccc3)c3ccc(C)c(C)c3)cc12.Cc1cc(N(c2ccccc2)c2ccc(C(C)(C)C)cc2)cc2ccc(N(c3ccccc3)c3ccc(C(C)(C)C)cc3)cc12.Cc1ccc(N(c2ccc(Oc3ccccc3)cc2)c2cc(-c3ccccc3)c3cc(N(c4ccc(C)cc4)c4ccc(Oc5ccccc5)cc4)cc(C)c3c2)cc1.Cc1ccc(N(c2ccccc2)c2cc(C)c3cc(N(c4ccccc4)c4ccc(C)c(C)c4)ccc3c2)cc1C.
What is the InChIKey of 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?
The InChIKey is HJXYXWAGMKYEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44N2O2.C43H44N2.C41H40N2.C39H36N2/c1-39-19-23-43(24-20-39)56(45-27-31-51(32-28-45)58-49-15-9-5-10-16-49)47-35-41(3)53-36-48(37-54(55(53)38-47)42-13-7-4-8-14-42)57(44-25-21-40(2)22-26-44)46-29-33-52(34-30-46)59-50-17-11-6-12-18-50;1-31-28-40(45(36-16-12-9-13-17-36)38-26-21-34(22-27-38)43(5,6)7)29-32-18-23-39(30-41(31)32)44(35-14-10-8-11-15-35)37-24-19-33(20-25-37)42(2,3)4;1-7-33-25-39(43(35-16-12-9-13-17-35)37-21-19-29(3)31(5)23-37)26-40-32(6)24-38(27-41(33)40)42(34-14-10-8-11-15-34)36-20-18-28(2)30(4)22-36;1-27-16-19-35(22-29(27)3)40(33-12-8-6-9-13-33)37-21-18-32-25-38(24-31(5)39(32)26-37)41(34-14-10-7-11-15-34)36-20-17-28(2)30(4)23-36/h4-38H,1-3H3;8-30H,1-7H3;8-27H,7H2,1-6H3;6-26H,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 2447.32 g/mol, XLogP of 51.84, 30 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158501370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).