7-N-(3-deuteriophenyl)-7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-silylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(3-methylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine

C173H118N8S8Si — CID 159001336

IUPAC7-N-(3-deuteriophenyl)-7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-silylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(3-methylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
SMILESCc1cccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccccc4)cc23)c1.[2H]c1cccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccccc4)cc23)c1.[SiH3]c1cccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccccc4)cc23)c1.c1ccc(N(c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccccc4)cc23)c2ccc3c(c2)sc2ccc4ccccc4c23)cc1
InChIInChI=1S/C46H30N2S2.C43H30N2S2.C42H30N2S2Si.C42H28N2S2/c1-4-13-32(14-5-1)47(33-15-6-2-7-16-33)35-23-27-42-41(28-35)39-24-21-36(29-44(39)49-42)48(34-17-8-3-9-18-34)37-22-25-40-45(30-37)50-43-26-20-31-12-10-11-19-38(31)46(40)43;1-29-11-10-16-32(25-29)45(34-19-22-37-36-17-8-9-18-40(36)46-42(37)27-34)35-20-23-38-39-26-33(21-24-41(39)47-43(38)28-35)44(30-12-4-2-5-13-30)31-14-6-3-7-15-31;47-34-15-9-14-30(24-34)44(32-18-21-36-35-16-7-8-17-39(35)45-41(36)26-32)33-19-22-37-38-25-31(20-23-40(38)46-42(37)27-33)43(28-10-3-1-4-11-28)29-12-5-2-6-13-29;1-4-12-29(13-5-1)43(30-14-6-2-7-15-30)32-22-25-40-38(26-32)37-24-21-34(28-42(37)46-40)44(31-16-8-3-9-17-31)33-20-23-36-35-18-10-11-19-39(35)45-41(36)27-33/h1-30H;2-28H,1H3;1-27H,47H3;1-28H/i;;;8D
InChIKeyJRJGARYRKYXEHF-SEKXVIIXSA-N
MW2594.53 g/mol
LogP52.90
Rot. Bonds24

About 7-N-(3-deuteriophenyl)-7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-silylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(3-methylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine

7-N-(3-deuteriophenyl)-7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-silylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(3-methylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine (PubChem CID 159001336) has the molecular formula C173H118N8S8Si and a molecular weight of 2594.53 g/mol. Its IUPAC name is 7-N-(3-deuteriophenyl)-7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-silylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(3-methylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine.

Molecular Properties

Compound Name7-N-(3-deuteriophenyl)-7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-silylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(3-methylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
PubChem CID159001336
Molecular FormulaC173H118N8S8Si
Molecular Weight2594.53 g/mol
Exact Mass2591.71
IUPAC Name7-N-(3-deuteriophenyl)-7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-silylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(3-methylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
SMILESCc1cccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccccc4)cc23)c1.[2H]c1cccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccccc4)cc23)c1.[SiH3]c1cccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccccc4)cc23)c1.c1ccc(N(c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccccc4)cc23)c2ccc3c(c2)sc2ccc4ccccc4c23)cc1
InChIInChI=1S/C46H30N2S2.C43H30N2S2.C42H30N2S2Si.C42H28N2S2/c1-4-13-32(14-5-1)47(33-15-6-2-7-16-33)35-23-27-42-41(28-35)39-24-21-36(29-44(39)49-42)48(34-17-8-3-9-18-34)37-22-25-40-45(30-37)50-43-26-20-31-12-10-11-19-38(31)46(40)43;1-29-11-10-16-32(25-29)45(34-19-22-37-36-17-8-9-18-40(36)46-42(37)27-34)35-20-23-38-39-26-33(21-24-41(39)47-43(38)28-35)44(30-12-4-2-5-13-30)31-14-6-3-7-15-31;47-34-15-9-14-30(24-34)44(32-18-21-36-35-16-7-8-17-39(35)45-41(36)26-32)33-19-22-37-38-25-31(20-23-40(38)46-42(37)27-33)43(28-10-3-1-4-11-28)29-12-5-2-6-13-29;1-4-12-29(13-5-1)43(30-14-6-2-7-15-30)32-22-25-40-38(26-32)37-24-21-34(28-42(37)46-40)44(31-16-8-3-9-17-31)33-20-23-36-35-18-10-11-19-39(35)45-41(36)27-33/h1-30H;2-28H,1H3;1-27H,47H3;1-28H/i;;;8D
InChIKeyJRJGARYRKYXEHF-SEKXVIIXSA-N
XLogP52.90
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002594.53
LogP ≤ 552.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 7-N-(3-deuteriophenyl)-7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-silylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(3-methylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine with MolForge

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Related Compounds

7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146573607
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-silylphenyl)dibenzothiophene-2,7-diamine
CID 159001337
N-dibenzothiophen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-amine
CID 170039484
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
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
7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine
CID 134553264
7-N-(7-methyldibenzothiophen-2-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 139422457
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
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
N-chrysen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine
CID 170140492
N-benzo[g]phenanthren-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
CID 167182764
N-(4-fluorophenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
CID 90263557

Frequently Asked Questions

What is the IUPAC name of 7-N-(3-deuteriophenyl)-7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-silylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(3-methylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine?
The IUPAC name of 7-N-(3-deuteriophenyl)-7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-silylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(3-methylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine (CID 159001336) is 7-N-(3-deuteriophenyl)-7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-silylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(3-methylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine.
What is the SMILES notation for 7-N-(3-deuteriophenyl)-7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-silylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(3-methylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine?
The canonical SMILES for 7-N-(3-deuteriophenyl)-7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-silylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(3-methylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine is Cc1cccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccccc4)cc23)c1.[2H]c1cccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccccc4)cc23)c1.[SiH3]c1cccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccccc4)cc23)c1.c1ccc(N(c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccccc4)cc23)c2ccc3c(c2)sc2ccc4ccccc4c23)cc1.
What is the InChIKey of 7-N-(3-deuteriophenyl)-7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-silylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(3-methylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine?
The InChIKey is JRJGARYRKYXEHF-SEKXVIIXSA-N. The full InChI is InChI=1S/C46H30N2S2.C43H30N2S2.C42H30N2S2Si.C42H28N2S2/c1-4-13-32(14-5-1)47(33-15-6-2-7-16-33)35-23-27-42-41(28-35)39-24-21-36(29-44(39)49-42)48(34-17-8-3-9-18-34)37-22-25-40-45(30-37)50-43-26-20-31-12-10-11-19-38(31)46(40)43;1-29-11-10-16-32(25-29)45(34-19-22-37-36-17-8-9-18-40(36)46-42(37)27-34)35-20-23-38-39-26-33(21-24-41(39)47-43(38)28-35)44(30-12-4-2-5-13-30)31-14-6-3-7-15-31;47-34-15-9-14-30(24-34)44(32-18-21-36-35-16-7-8-17-39(35)45-41(36)26-32)33-19-22-37-38-25-31(20-23-40(38)46-42(37)27-33)43(28-10-3-1-4-11-28)29-12-5-2-6-13-29;1-4-12-29(13-5-1)43(30-14-6-2-7-15-30)32-22-25-40-38(26-32)37-24-21-34(28-42(37)46-40)44(31-16-8-3-9-17-31)33-20-23-36-35-18-10-11-19-39(35)45-41(36)27-33/h1-30H;2-28H,1H3;1-27H,47H3;1-28H/i;;;8D.
What are the key properties of 7-N-(3-deuteriophenyl)-7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-silylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(3-methylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine?
7-N-(3-deuteriophenyl)-7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-silylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(3-methylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine has a molecular weight of 2594.53 g/mol, XLogP of 52.90, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(3-deuteriophenyl)-7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-silylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(3-methylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine is sourced from PubChem (CID 159001336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).