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

C164H148N8OS3 — CID 158388739

IUPAC2-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
SMILESCC.CC.Cc1ccc(-c2ccc(N(c3ccc(C)c(C)c3)c3ccc4sc5ccc(N(C)c6ccc(C)c(C)c6)cc5c4c3)cc2)cc1.Cc1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc4sc5ccc(N(C)c6ccc(C)cc6)cc5c4c3)cc2)cc1.Cc1ccc(-c2ccc(N(c3cccc(C)c3)c3ccc4oc5ccc(N(C)c6cccc(C)c6)cc5c4c3)cc2)cc1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc4sc5ccc(N(C)c6ccccc6)cc5c4c3)cc2)cc1
InChIInChI=1S/C42H38N2S.C40H34N2O.C40H34N2S.C38H30N2S.2C2H6/c1-27-7-11-32(12-8-27)33-13-17-34(18-14-33)44(37-16-10-29(3)31(5)24-37)38-20-22-42-40(26-38)39-25-36(19-21-41(39)45-42)43(6)35-15-9-28(2)30(4)23-35;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;1-27-5-11-30(12-6-27)31-13-19-34(20-14-31)42(33-17-9-29(3)10-18-33)36-22-24-40-38(26-36)37-25-35(21-23-39(37)43-40)41(4)32-15-7-28(2)8-16-32;1-27-13-15-28(16-14-27)29-17-19-32(20-18-29)40(31-11-7-4-8-12-31)34-22-24-38-36(26-34)35-25-33(21-23-37(35)41-38)39(2)30-9-5-3-6-10-30;2*1-2/h7-26H,1-6H3;2*5-26H,1-4H3;3-26H,1-2H3;2*1-2H3
InChIKeyGWRJXSGXVWOGPQ-UHFFFAOYSA-N
MW2343.24 g/mol
LogP49.12
Rot. Bonds24

About 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

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 (PubChem CID 158388739) has the molecular formula C164H148N8OS3 and a molecular weight of 2343.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID158388739
Molecular FormulaC164H148N8OS3
Molecular Weight2343.24 g/mol
Exact Mass2341.09
IUPAC Name2-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
SMILESCC.CC.Cc1ccc(-c2ccc(N(c3ccc(C)c(C)c3)c3ccc4sc5ccc(N(C)c6ccc(C)c(C)c6)cc5c4c3)cc2)cc1.Cc1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc4sc5ccc(N(C)c6ccc(C)cc6)cc5c4c3)cc2)cc1.Cc1ccc(-c2ccc(N(c3cccc(C)c3)c3ccc4oc5ccc(N(C)c6cccc(C)c6)cc5c4c3)cc2)cc1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc4sc5ccc(N(C)c6ccccc6)cc5c4c3)cc2)cc1
InChIInChI=1S/C42H38N2S.C40H34N2O.C40H34N2S.C38H30N2S.2C2H6/c1-27-7-11-32(12-8-27)33-13-17-34(18-14-33)44(37-16-10-29(3)31(5)24-37)38-20-22-42-40(26-38)39-25-36(19-21-41(39)45-42)43(6)35-15-9-28(2)30(4)23-35;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;1-27-5-11-30(12-6-27)31-13-19-34(20-14-31)42(33-17-9-29(3)10-18-33)36-22-24-40-38(26-36)37-25-35(21-23-39(37)43-40)41(4)32-15-7-28(2)8-16-32;1-27-13-15-28(16-14-27)29-17-19-32(20-18-29)40(31-11-7-4-8-12-31)34-22-24-38-36(26-34)35-25-33(21-23-37(35)41-38)39(2)30-9-5-3-6-10-30;2*1-2/h7-26H,1-6H3;2*5-26H,1-4H3;3-26H,1-2H3;2*1-2H3
InChIKeyGWRJXSGXVWOGPQ-UHFFFAOYSA-N
XLogP49.12
TPSA39.06 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002343.24
LogP ≤ 549.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

2-N,8-N-bis(3,4-dimethylphenyl)-2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine
CID 23593407
8-N-[8-(3-methyl-N-(3-methylphenyl)anilino)dibenzofuran-2-yl]-2-N-[4-[4-(4-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(3-methylphenyl)dibenzofuran-2,8-diamine
CID 23594512
N-methyl-N-[4-[4-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]phenyl]dibenzothiophen-2-amine
CID 23593343
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
N-[4-[4-[N-(3,4-dimethylphenyl)-4-[4-[N-(3,4-dimethylphenyl)-4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-(3-fluorophenyl)-8-methyldibenzofuran-2-amine
CID 23594453
8-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 163712380
2-N-dibenzofuran-2-yl-2-N-dibenzothiophen-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzofuran-3-yl-2-N-(4-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-(3-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-2-N-phenanthren-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine
CID 159492093
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
1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]benzene-1,3,5-triamine;5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenyl-5-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzothiophen-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-3-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 160604372
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 161416288
3-N-dibenzofuran-2-yl-3-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134198268
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine
CID 139422551

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.Cc1ccc(-c2ccc(N(c3ccc(C)c(C)c3)c3ccc4sc5ccc(N(C)c6ccc(C)c(C)c6)cc5c4c3)cc2)cc1.Cc1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc4sc5ccc(N(C)c6ccc(C)cc6)cc5c4c3)cc2)cc1.Cc1ccc(-c2ccc(N(c3cccc(C)c3)c3ccc4oc5ccc(N(C)c6cccc(C)c6)cc5c4c3)cc2)cc1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc4sc5ccc(N(C)c6ccccc6)cc5c4c3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is GWRJXSGXVWOGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38N2S.C40H34N2O.C40H34N2S.C38H30N2S.2C2H6/c1-27-7-11-32(12-8-27)33-13-17-34(18-14-33)44(37-16-10-29(3)31(5)24-37)38-20-22-42-40(26-38)39-25-36(19-21-41(39)45-42)43(6)35-15-9-28(2)30(4)23-35;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;1-27-5-11-30(12-6-27)31-13-19-34(20-14-31)42(33-17-9-29(3)10-18-33)36-22-24-40-38(26-36)37-25-35(21-23-39(37)43-40)41(4)32-15-7-28(2)8-16-32;1-27-13-15-28(16-14-27)29-17-19-32(20-18-29)40(31-11-7-4-8-12-31)34-22-24-38-36(26-34)35-25-33(21-23-37(35)41-38)39(2)30-9-5-3-6-10-30;2*1-2/h7-26H,1-6H3;2*5-26H,1-4H3;3-26H,1-2H3;2*1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2343.24 g/mol, XLogP of 49.12, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158388739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).