N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(3-methylphenyl)aniline;N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(4-methylphenyl)aniline;3-methyl-N,N-diphenylaniline;4-methyl-N,N-diphenylaniline;7-(3-methylphenyl)-[1]benzothiolo[2,3-b]carbazole

C109H101N5S — CID 158685551

IUPACN-(3,5-dimethylphenyl)-3,5-dimethyl-N-(3-methylphenyl)aniline;N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(4-methylphenyl)aniline;3-methyl-N,N-diphenylaniline;4-methyl-N,N-diphenylaniline;7-(3-methylphenyl)-[1]benzothiolo[2,3-b]carbazole
SMILESCc1ccc(N(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)cc1.Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.Cc1cccc(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)c1.Cc1cccc(N(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1.Cc1cccc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H17NS.2C23H25N.2C19H17N/c1-16-7-6-8-17(13-16)26-22-11-4-2-9-18(22)20-14-21-19-10-3-5-12-24(19)27-25(21)15-23(20)26;1-16-6-8-21(9-7-16)24(22-12-17(2)10-18(3)13-22)23-14-19(4)11-20(5)15-23;1-16-7-6-8-21(11-16)24(22-12-17(2)9-18(3)13-22)23-14-19(4)10-20(5)15-23;1-16-9-8-14-19(15-16)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3;2*6-15H,1-5H3;2*2-15H,1H3
InChIKeyIFRMNBTVVLXOHO-UHFFFAOYSA-N
MW1513.11 g/mol
LogP31.79
Rot. Bonds13

About N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(3-methylphenyl)aniline;N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(4-methylphenyl)aniline;3-methyl-N,N-diphenylaniline;4-methyl-N,N-diphenylaniline;7-(3-methylphenyl)-[1]benzothiolo[2,3-b]carbazole

N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(3-methylphenyl)aniline;N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(4-methylphenyl)aniline;3-methyl-N,N-diphenylaniline;4-methyl-N,N-diphenylaniline;7-(3-methylphenyl)-[1]benzothiolo[2,3-b]carbazole (PubChem CID 158685551) has the molecular formula C109H101N5S and a molecular weight of 1513.11 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(3-methylphenyl)aniline;N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(4-methylphenyl)aniline;3-methyl-N,N-diphenylaniline;4-methyl-N,N-diphenylaniline;7-(3-methylphenyl)-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3,5-dimethyl-N-(3-methylphenyl)aniline;N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(4-methylphenyl)aniline;3-methyl-N,N-diphenylaniline;4-methyl-N,N-diphenylaniline;7-(3-methylphenyl)-[1]benzothiolo[2,3-b]carbazole
PubChem CID158685551
Molecular FormulaC109H101N5S
Molecular Weight1513.11 g/mol
Exact Mass1511.78
IUPAC NameN-(3,5-dimethylphenyl)-3,5-dimethyl-N-(3-methylphenyl)aniline;N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(4-methylphenyl)aniline;3-methyl-N,N-diphenylaniline;4-methyl-N,N-diphenylaniline;7-(3-methylphenyl)-[1]benzothiolo[2,3-b]carbazole
SMILESCc1ccc(N(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)cc1.Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.Cc1cccc(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)c1.Cc1cccc(N(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1.Cc1cccc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H17NS.2C23H25N.2C19H17N/c1-16-7-6-8-17(13-16)26-22-11-4-2-9-18(22)20-14-21-19-10-3-5-12-24(19)27-25(21)15-23(20)26;1-16-6-8-21(9-7-16)24(22-12-17(2)10-18(3)13-22)23-14-19(4)11-20(5)15-23;1-16-7-6-8-21(11-16)24(22-12-17(2)9-18(3)13-22)23-14-19(4)10-20(5)15-23;1-16-9-8-14-19(15-16)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3;2*6-15H,1-5H3;2*2-15H,1H3
InChIKeyIFRMNBTVVLXOHO-UHFFFAOYSA-N
XLogP31.79
TPSA17.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001513.11
LogP ≤ 531.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(3-methylphenyl)aniline;N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(4-methylphenyl)aniline;3-methyl-N,N-diphenylaniline;4-methyl-N,N-diphenylaniline;7-(3-methylphenyl)-[1]benzothiolo[2,3-b]carbazole with MolForge

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Related Compounds

N,N-diphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazol-9-amine
CID 90050702
3-([1]benzothiolo[2,3-b]carbazol-7-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 135164596
N,N-diphenyl-11-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-8-amine
CID 90050805
9-dibenzothiophen-2-yl-N-(4-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 118333305
3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578528
7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 118503110
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-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 167086981
N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline
CID 100915201
6-N,16-N-bis(4-methylphenyl)-6-N,16-N-bis[9-(4-methylphenyl)carbazol-3-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-6,16-diamine
CID 58501326
N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 159634715

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(3-methylphenyl)aniline;N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(4-methylphenyl)aniline;3-methyl-N,N-diphenylaniline;4-methyl-N,N-diphenylaniline;7-(3-methylphenyl)-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(3-methylphenyl)aniline;N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(4-methylphenyl)aniline;3-methyl-N,N-diphenylaniline;4-methyl-N,N-diphenylaniline;7-(3-methylphenyl)-[1]benzothiolo[2,3-b]carbazole (CID 158685551) is N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(3-methylphenyl)aniline;N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(4-methylphenyl)aniline;3-methyl-N,N-diphenylaniline;4-methyl-N,N-diphenylaniline;7-(3-methylphenyl)-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(3-methylphenyl)aniline;N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(4-methylphenyl)aniline;3-methyl-N,N-diphenylaniline;4-methyl-N,N-diphenylaniline;7-(3-methylphenyl)-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(3-methylphenyl)aniline;N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(4-methylphenyl)aniline;3-methyl-N,N-diphenylaniline;4-methyl-N,N-diphenylaniline;7-(3-methylphenyl)-[1]benzothiolo[2,3-b]carbazole is Cc1ccc(N(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)cc1.Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.Cc1cccc(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)c1.Cc1cccc(N(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1.Cc1cccc(N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(3-methylphenyl)aniline;N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(4-methylphenyl)aniline;3-methyl-N,N-diphenylaniline;4-methyl-N,N-diphenylaniline;7-(3-methylphenyl)-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is IFRMNBTVVLXOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NS.2C23H25N.2C19H17N/c1-16-7-6-8-17(13-16)26-22-11-4-2-9-18(22)20-14-21-19-10-3-5-12-24(19)27-25(21)15-23(20)26;1-16-6-8-21(9-7-16)24(22-12-17(2)10-18(3)13-22)23-14-19(4)11-20(5)15-23;1-16-7-6-8-21(11-16)24(22-12-17(2)9-18(3)13-22)23-14-19(4)10-20(5)15-23;1-16-9-8-14-19(15-16)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3;2*6-15H,1-5H3;2*2-15H,1H3.
What are the key properties of N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(3-methylphenyl)aniline;N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(4-methylphenyl)aniline;3-methyl-N,N-diphenylaniline;4-methyl-N,N-diphenylaniline;7-(3-methylphenyl)-[1]benzothiolo[2,3-b]carbazole?
N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(3-methylphenyl)aniline;N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(4-methylphenyl)aniline;3-methyl-N,N-diphenylaniline;4-methyl-N,N-diphenylaniline;7-(3-methylphenyl)-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 1513.11 g/mol, XLogP of 31.79, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(3-methylphenyl)aniline;N-(3,5-dimethylphenyl)-3,5-dimethyl-N-(4-methylphenyl)aniline;3-methyl-N,N-diphenylaniline;4-methyl-N,N-diphenylaniline;7-(3-methylphenyl)-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 158685551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).