2-N,8-N-bis(2,4-dimethylphenyl)-2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine;2-N-methyl-2-N,8-N-bis(3-methylphenyl)-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine

C82H72N4S2 — CID 157317728

IUPAC2-N,8-N-bis(2,4-dimethylphenyl)-2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine;2-N-methyl-2-N,8-N-bis(3-methylphenyl)-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine
SMILESCc1ccc(-c2ccc(N(c3ccc4sc5ccc(N(C)c6ccc(C)cc6C)cc5c4c3)c3ccc(C)cc3C)cc2)cc1.Cc1ccc(-c2ccc(N(c3cccc(C)c3)c3ccc4sc5ccc(N(C)c6cccc(C)c6)cc5c4c3)cc2)cc1
InChIInChI=1S/C42H38N2S.C40H34N2S/c1-27-7-11-32(12-8-27)33-13-15-34(16-14-33)44(40-20-10-29(3)24-31(40)5)36-18-22-42-38(26-36)37-25-35(17-21-41(37)45-42)43(6)39-19-9-28(2)23-30(39)4;1-27-11-13-30(14-12-27)31-15-17-32(18-16-31)42(35-10-6-8-29(3)24-35)36-20-22-40-38(26-36)37-25-34(19-21-39(37)43-40)41(4)33-9-5-7-28(2)23-33/h7-26H,1-6H3;5-26H,1-4H3
InChIKeyBDUOKCHRARXETM-UHFFFAOYSA-N
MW1177.64 g/mol
LogP24.39
Rot. Bonds12

About 2-N,8-N-bis(2,4-dimethylphenyl)-2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine;2-N-methyl-2-N,8-N-bis(3-methylphenyl)-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine

2-N,8-N-bis(2,4-dimethylphenyl)-2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine;2-N-methyl-2-N,8-N-bis(3-methylphenyl)-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine (PubChem CID 157317728) has the molecular formula C82H72N4S2 and a molecular weight of 1177.64 g/mol. Its IUPAC name is 2-N,8-N-bis(2,4-dimethylphenyl)-2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine;2-N-methyl-2-N,8-N-bis(3-methylphenyl)-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine.

Molecular Properties

Compound Name2-N,8-N-bis(2,4-dimethylphenyl)-2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine;2-N-methyl-2-N,8-N-bis(3-methylphenyl)-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine
PubChem CID157317728
Molecular FormulaC82H72N4S2
Molecular Weight1177.64 g/mol
Exact Mass1176.52
IUPAC Name2-N,8-N-bis(2,4-dimethylphenyl)-2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine;2-N-methyl-2-N,8-N-bis(3-methylphenyl)-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine
SMILESCc1ccc(-c2ccc(N(c3ccc4sc5ccc(N(C)c6ccc(C)cc6C)cc5c4c3)c3ccc(C)cc3C)cc2)cc1.Cc1ccc(-c2ccc(N(c3cccc(C)c3)c3ccc4sc5ccc(N(C)c6cccc(C)c6)cc5c4c3)cc2)cc1
InChIInChI=1S/C42H38N2S.C40H34N2S/c1-27-7-11-32(12-8-27)33-13-15-34(16-14-33)44(40-20-10-29(3)24-31(40)5)36-18-22-42-38(26-36)37-25-35(17-21-41(37)45-42)43(6)39-19-9-28(2)23-30(39)4;1-27-11-13-30(14-12-27)31-15-17-32(18-16-31)42(35-10-6-8-29(3)24-35)36-20-22-40-38(26-36)37-25-34(19-21-39(37)43-40)41(4)33-9-5-7-28(2)23-33/h7-26H,1-6H3;5-26H,1-4H3
InChIKeyBDUOKCHRARXETM-UHFFFAOYSA-N
XLogP24.39
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001177.64
LogP ≤ 524.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-N,8-N-bis(2,4-dimethylphenyl)-2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine;2-N-methyl-2-N,8-N-bis(3-methylphenyl)-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine with MolForge

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Related Compounds

8-N,8-N-bis(2,4-dimethylphenyl)-2-N-[4-[4-(4-methyl-N-(8-methyldibenzothiophen-2-yl)anilino)phenyl]phenyl]-2-N-(4-methylphenyl)dibenzothiophene-2,8-diamine
CID 23594519
2-N,8-N-bis(3,4-dimethylphenyl)-2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine
CID 23593407
2-N,8-N-bis(3,4-dimethylphenyl)-2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine;ethane;2-N-methyl-2-N,8-N-bis(3-methylphenyl)-8-N-[4-(4-methylphenyl)phenyl]dibenzofuran-2,8-diamine;2-N-methyl-2-N,8-N-bis(4-methylphenyl)-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine;2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]-2-N,8-N-diphenyldibenzothiophene-2,8-diamine
CID 158388739
N-[4-[4-[N-(2,4-dimethylphenyl)-4-[4-(N-(2,4-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-N,2,4-trimethylaniline
CID 23594446
N-methyl-N-[4-[4-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]phenyl]dibenzothiophen-2-amine
CID 23593343
3-N-dibenzothiophen-2-yl-7-N-(2,4-dimethylphenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)dibenzofuran-3,7-diamine
CID 23593302
1-N,4-N-di(dibenzothiophen-2-yl)-2-methyl-4-N-phenyl-1-N-(3-phenylphenyl)benzene-1,4-diamine;(3Z)-penta-1,3-diene;toluene
CID 145169929
3-N,3-N-di(dibenzothiophen-2-yl)-1-N,5-N-bis(3-methylphenyl)-1-N,5-N-diphenylbenzene-1,3,5-triamine
CID 118605072
1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-bis(3-methylphenyl)-5-N,5-N-diphenylbenzene-1,3,5-triamine
CID 118605031
N,2-dimethyl-4-[3-methyl-4-(N-(4-methylphenyl)anilino)phenyl]-N-phenylaniline
CID 58038455
3-N-(2,4-dimethylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 54226446
4-methyl-N,N-diphenylaniline;3-methyl-N-(3-methylphenyl)-N-(4-methylphenyl)aniline;N-methyl-N-phenylaniline;4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 160844016

Frequently Asked Questions

What is the IUPAC name of 2-N,8-N-bis(2,4-dimethylphenyl)-2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine;2-N-methyl-2-N,8-N-bis(3-methylphenyl)-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine?
The IUPAC name of 2-N,8-N-bis(2,4-dimethylphenyl)-2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine;2-N-methyl-2-N,8-N-bis(3-methylphenyl)-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine (CID 157317728) is 2-N,8-N-bis(2,4-dimethylphenyl)-2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine;2-N-methyl-2-N,8-N-bis(3-methylphenyl)-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine.
What is the SMILES notation for 2-N,8-N-bis(2,4-dimethylphenyl)-2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine;2-N-methyl-2-N,8-N-bis(3-methylphenyl)-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine?
The canonical SMILES for 2-N,8-N-bis(2,4-dimethylphenyl)-2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine;2-N-methyl-2-N,8-N-bis(3-methylphenyl)-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine is Cc1ccc(-c2ccc(N(c3ccc4sc5ccc(N(C)c6ccc(C)cc6C)cc5c4c3)c3ccc(C)cc3C)cc2)cc1.Cc1ccc(-c2ccc(N(c3cccc(C)c3)c3ccc4sc5ccc(N(C)c6cccc(C)c6)cc5c4c3)cc2)cc1.
What is the InChIKey of 2-N,8-N-bis(2,4-dimethylphenyl)-2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine;2-N-methyl-2-N,8-N-bis(3-methylphenyl)-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine?
The InChIKey is BDUOKCHRARXETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38N2S.C40H34N2S/c1-27-7-11-32(12-8-27)33-13-15-34(16-14-33)44(40-20-10-29(3)24-31(40)5)36-18-22-42-38(26-36)37-25-35(17-21-41(37)45-42)43(6)39-19-9-28(2)23-30(39)4;1-27-11-13-30(14-12-27)31-15-17-32(18-16-31)42(35-10-6-8-29(3)24-35)36-20-22-40-38(26-36)37-25-34(19-21-39(37)43-40)41(4)33-9-5-7-28(2)23-33/h7-26H,1-6H3;5-26H,1-4H3.
What are the key properties of 2-N,8-N-bis(2,4-dimethylphenyl)-2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine;2-N-methyl-2-N,8-N-bis(3-methylphenyl)-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine?
2-N,8-N-bis(2,4-dimethylphenyl)-2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine;2-N-methyl-2-N,8-N-bis(3-methylphenyl)-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine has a molecular weight of 1177.64 g/mol, XLogP of 24.39, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,8-N-bis(2,4-dimethylphenyl)-2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine;2-N-methyl-2-N,8-N-bis(3-methylphenyl)-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine is sourced from PubChem (CID 157317728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).