7,8-dimethyl-2-N,2-N,3-N,3-N-tetraphenyldibenzothiophene-2,3-diamine

C38H30N2S — CID 58849587

IUPAC7,8-dimethyl-2-N,2-N,3-N,3-N-tetraphenyldibenzothiophene-2,3-diamine
SMILESCc1cc2sc3cc(N(c4ccccc4)c4ccccc4)c(N(c4ccccc4)c4ccccc4)cc3c2cc1C
InChIInChI=1S/C38H30N2S/c1-27-23-33-34-25-35(39(29-15-7-3-8-16-29)30-17-9-4-10-18-30)36(26-38(34)41-37(33)24-28(27)2)40(31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3-26H,1-2H3
InChIKeyFABORUDZCPODFT-UHFFFAOYSA-N
MW546.74 g/mol
LogP11.61
Rot. Bonds6

About 7,8-dimethyl-2-N,2-N,3-N,3-N-tetraphenyldibenzothiophene-2,3-diamine

7,8-dimethyl-2-N,2-N,3-N,3-N-tetraphenyldibenzothiophene-2,3-diamine (PubChem CID 58849587) has the molecular formula C38H30N2S and a molecular weight of 546.74 g/mol. Its IUPAC name is 7,8-dimethyl-2-N,2-N,3-N,3-N-tetraphenyldibenzothiophene-2,3-diamine.

Molecular Properties

Compound Name7,8-dimethyl-2-N,2-N,3-N,3-N-tetraphenyldibenzothiophene-2,3-diamine
PubChem CID58849587
Molecular FormulaC38H30N2S
Molecular Weight546.74 g/mol
Exact Mass546.21
IUPAC Name7,8-dimethyl-2-N,2-N,3-N,3-N-tetraphenyldibenzothiophene-2,3-diamine
SMILESCc1cc2sc3cc(N(c4ccccc4)c4ccccc4)c(N(c4ccccc4)c4ccccc4)cc3c2cc1C
InChIInChI=1S/C38H30N2S/c1-27-23-33-34-25-35(39(29-15-7-3-8-16-29)30-17-9-4-10-18-30)36(26-38(34)41-37(33)24-28(27)2)40(31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3-26H,1-2H3
InChIKeyFABORUDZCPODFT-UHFFFAOYSA-N
XLogP11.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.74
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N,3-N-triphenyl-3-N-[1-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophene-2,3-diamine
CID 162493621
(3R)-5-N'-(2-methyldibenzothiophen-3-yl)-5-N,5-N,5-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
CID 170779867
1-N,8-N-di(dibenzothiophen-3-yl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine
CID 118581665
7-N-(7-methyldibenzothiophen-2-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 139422457
ethane;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
CID 91063235
3-N-dibenzothiophen-2-yl-2-N,3-N-diphenyl-2-N-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzothiole-2,3-diamine
CID 166856566
9-N,23-N-bis(4-methylphenyl)-9-N,23-N-diphenyl-14,18-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155360437
4-methyl-1-N,3-N-diphenyl-1-N,3-N-bis[4-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 158926819
5-N-[3,7-dimethyl-5-(N-phenylanilino)naphthalen-1-yl]-3,7-dimethyl-1-N,1-N,5-N-triphenylnaphthalene-1,5-diamine
CID 20754054
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
1-N,3-N-di(dibenzothiophen-3-yl)-4-methyl-5-(2-methylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 145060217
9-N,10-N-dinaphthalen-2-yl-9-N-phenyl-10-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiole-9,10-diamine
CID 166856065

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-2-N,2-N,3-N,3-N-tetraphenyldibenzothiophene-2,3-diamine?
The IUPAC name of 7,8-dimethyl-2-N,2-N,3-N,3-N-tetraphenyldibenzothiophene-2,3-diamine (CID 58849587) is 7,8-dimethyl-2-N,2-N,3-N,3-N-tetraphenyldibenzothiophene-2,3-diamine.
What is the SMILES notation for 7,8-dimethyl-2-N,2-N,3-N,3-N-tetraphenyldibenzothiophene-2,3-diamine?
The canonical SMILES for 7,8-dimethyl-2-N,2-N,3-N,3-N-tetraphenyldibenzothiophene-2,3-diamine is Cc1cc2sc3cc(N(c4ccccc4)c4ccccc4)c(N(c4ccccc4)c4ccccc4)cc3c2cc1C.
What is the InChIKey of 7,8-dimethyl-2-N,2-N,3-N,3-N-tetraphenyldibenzothiophene-2,3-diamine?
The InChIKey is FABORUDZCPODFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N2S/c1-27-23-33-34-25-35(39(29-15-7-3-8-16-29)30-17-9-4-10-18-30)36(26-38(34)41-37(33)24-28(27)2)40(31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3-26H,1-2H3.
What are the key properties of 7,8-dimethyl-2-N,2-N,3-N,3-N-tetraphenyldibenzothiophene-2,3-diamine?
7,8-dimethyl-2-N,2-N,3-N,3-N-tetraphenyldibenzothiophene-2,3-diamine has a molecular weight of 546.74 g/mol, XLogP of 11.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-2-N,2-N,3-N,3-N-tetraphenyldibenzothiophene-2,3-diamine is sourced from PubChem (CID 58849587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).