7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;5-N-dibenzothiophen-3-yl-5-N,10-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine;9-N-dibenzothiophen-3-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzothiole-5,9-diamine

C140H92N6S6 — CID 158283739

IUPAC7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;5-N-dibenzothiophen-3-yl-5-N,10-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine;9-N-dibenzothiophen-3-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzothiole-5,9-diamine
SMILESc1ccc(-c2cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)cc3sc4ccc(N(c5ccccc5)c5ccccc5)cc4c23)cc1.c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)sc2c4ccccc4c(N(c4ccccc4)c4ccccc4)cc32)cc1.c1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccccc5)c5ccc6c(c5)sc5ccccc56)c5ccccc5c4c3c2)cc1
InChIInChI=1S/C48H32N2S2.2C46H30N2S2/c1-5-15-33(16-6-1)41-31-39(50(36-21-11-4-12-22-36)37-25-27-45-42(29-37)40-23-13-14-24-44(40)51-45)32-47-48(41)43-30-38(26-28-46(43)52-47)49(34-17-7-2-8-18-34)35-19-9-3-10-20-35;1-4-14-31(15-5-1)47(32-16-6-2-7-17-32)34-25-27-43-40(28-34)46-39-22-11-10-20-36(39)41(30-45(46)50-43)48(33-18-8-3-9-19-33)35-24-26-38-37-21-12-13-23-42(37)49-44(38)29-35;1-4-14-31(15-5-1)47(34-24-26-38-37-21-12-13-23-43(37)49-44(38)28-34)35-25-27-39-41-30-42(36-20-10-11-22-40(36)46(41)50-45(39)29-35)48(32-16-6-2-7-17-32)33-18-8-3-9-19-33/h1-32H;2*1-30H
InChIKeyGKNAOKPLWKEEOE-UHFFFAOYSA-N
MW2050.72 g/mol
LogP44.06
Rot. Bonds19

About 7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;5-N-dibenzothiophen-3-yl-5-N,10-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine;9-N-dibenzothiophen-3-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzothiole-5,9-diamine

7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;5-N-dibenzothiophen-3-yl-5-N,10-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine;9-N-dibenzothiophen-3-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzothiole-5,9-diamine (PubChem CID 158283739) has the molecular formula C140H92N6S6 and a molecular weight of 2050.72 g/mol. Its IUPAC name is 7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;5-N-dibenzothiophen-3-yl-5-N,10-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine;9-N-dibenzothiophen-3-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzothiole-5,9-diamine.

Molecular Properties

Compound Name7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;5-N-dibenzothiophen-3-yl-5-N,10-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine;9-N-dibenzothiophen-3-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzothiole-5,9-diamine
PubChem CID158283739
Molecular FormulaC140H92N6S6
Molecular Weight2050.72 g/mol
Exact Mass2048.57
IUPAC Name7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;5-N-dibenzothiophen-3-yl-5-N,10-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine;9-N-dibenzothiophen-3-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzothiole-5,9-diamine
SMILESc1ccc(-c2cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)cc3sc4ccc(N(c5ccccc5)c5ccccc5)cc4c23)cc1.c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)sc2c4ccccc4c(N(c4ccccc4)c4ccccc4)cc32)cc1.c1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccccc5)c5ccc6c(c5)sc5ccccc56)c5ccccc5c4c3c2)cc1
InChIInChI=1S/C48H32N2S2.2C46H30N2S2/c1-5-15-33(16-6-1)41-31-39(50(36-21-11-4-12-22-36)37-25-27-45-42(29-37)40-23-13-14-24-44(40)51-45)32-47-48(41)43-30-38(26-28-46(43)52-47)49(34-17-7-2-8-18-34)35-19-9-3-10-20-35;1-4-14-31(15-5-1)47(32-16-6-2-7-17-32)34-25-27-43-40(28-34)46-39-22-11-10-20-36(39)41(30-45(46)50-43)48(33-18-8-3-9-19-33)35-24-26-38-37-21-12-13-23-42(37)49-44(38)29-35;1-4-14-31(15-5-1)47(34-24-26-38-37-21-12-13-23-43(37)49-44(38)28-34)35-25-27-39-41-30-42(36-20-10-11-22-40(36)46(41)50-45(39)29-35)48(32-16-6-2-7-17-32)33-18-8-3-9-19-33/h1-32H;2*1-30H
InChIKeyGKNAOKPLWKEEOE-UHFFFAOYSA-N
XLogP44.06
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002050.72
LogP ≤ 544.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;5-N-dibenzothiophen-3-yl-5-N,10-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine;9-N-dibenzothiophen-3-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzothiole-5,9-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-N-dibenzothiophen-2-yl-7-N-dibenzothiophen-3-yl-5-N,5-N,7-N,9-N-tetraphenylnaphtho[1,2-b][1]benzothiole-5,7,9-triamine
CID 155172859
7-N-dibenzothiophen-2-yl-2-N-(4-methylphenyl)-2-N,7-N,9-triphenyldibenzothiophene-2,7-diamine
CID 164707306
4-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-2-amine
CID 169280619
7-N-dibenzothiophen-2-yl-7-N-(4-dibenzothiophen-4-ylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-(4-dibenzothiophen-4-ylphenyl)-7-N-(4-naphthalen-1-ylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-naphtho[1,2-b][1]benzothiol-8-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 157139417
1-N-naphtho[1,2-b][1]benzothiol-8-yl-1-N,3-N-diphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophene-1,3-diamine
CID 146550645
3-N-dibenzothiophen-2-yl-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 118605050
N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 71126719
8-N-dibenzothiophen-2-yl-8-N,10-N-diphenyl-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine
CID 166856583
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
1-N-dibenzothiophen-3-yl-4-N-phenyl-4-N-(4-phenylnaphthalen-1-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 177116967
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-3-amine
CID 153299795
N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 159690784

Frequently Asked Questions

What is the IUPAC name of 7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;5-N-dibenzothiophen-3-yl-5-N,10-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine;9-N-dibenzothiophen-3-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzothiole-5,9-diamine?
The IUPAC name of 7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;5-N-dibenzothiophen-3-yl-5-N,10-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine;9-N-dibenzothiophen-3-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzothiole-5,9-diamine (CID 158283739) is 7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;5-N-dibenzothiophen-3-yl-5-N,10-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine;9-N-dibenzothiophen-3-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzothiole-5,9-diamine.
What is the SMILES notation for 7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;5-N-dibenzothiophen-3-yl-5-N,10-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine;9-N-dibenzothiophen-3-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzothiole-5,9-diamine?
The canonical SMILES for 7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;5-N-dibenzothiophen-3-yl-5-N,10-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine;9-N-dibenzothiophen-3-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzothiole-5,9-diamine is c1ccc(-c2cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)cc3sc4ccc(N(c5ccccc5)c5ccccc5)cc4c23)cc1.c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)sc2c4ccccc4c(N(c4ccccc4)c4ccccc4)cc32)cc1.c1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccccc5)c5ccc6c(c5)sc5ccccc56)c5ccccc5c4c3c2)cc1.
What is the InChIKey of 7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;5-N-dibenzothiophen-3-yl-5-N,10-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine;9-N-dibenzothiophen-3-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzothiole-5,9-diamine?
The InChIKey is GKNAOKPLWKEEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2S2.2C46H30N2S2/c1-5-15-33(16-6-1)41-31-39(50(36-21-11-4-12-22-36)37-25-27-45-42(29-37)40-23-13-14-24-44(40)51-45)32-47-48(41)43-30-38(26-28-46(43)52-47)49(34-17-7-2-8-18-34)35-19-9-3-10-20-35;1-4-14-31(15-5-1)47(32-16-6-2-7-17-32)34-25-27-43-40(28-34)46-39-22-11-10-20-36(39)41(30-45(46)50-43)48(33-18-8-3-9-19-33)35-24-26-38-37-21-12-13-23-42(37)49-44(38)29-35;1-4-14-31(15-5-1)47(34-24-26-38-37-21-12-13-23-43(37)49-44(38)28-34)35-25-27-39-41-30-42(36-20-10-11-22-40(36)46(41)50-45(39)29-35)48(32-16-6-2-7-17-32)33-18-8-3-9-19-33/h1-32H;2*1-30H.
What are the key properties of 7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;5-N-dibenzothiophen-3-yl-5-N,10-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine;9-N-dibenzothiophen-3-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzothiole-5,9-diamine?
7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;5-N-dibenzothiophen-3-yl-5-N,10-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine;9-N-dibenzothiophen-3-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzothiole-5,9-diamine has a molecular weight of 2050.72 g/mol, XLogP of 44.06, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;5-N-dibenzothiophen-3-yl-5-N,10-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine;9-N-dibenzothiophen-3-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzothiole-5,9-diamine is sourced from PubChem (CID 158283739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).