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

C158H102N6S7 — CID 157139417

IUPAC7-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
SMILESc1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5ccc6sc7ccccc7c6c5)ccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-c6cccc7c6sc6ccccc67)cc5)ccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccccc5)c5ccc6sc7c8ccccc8ccc7c6c5)ccc4c3c2)cc1
InChIInChI=1S/C58H38N2S2.C54H34N2S3.C46H30N2S2/c1-3-15-42(16-4-1)59(43-17-5-2-6-18-43)46-34-36-56-54(37-46)52-35-33-47(38-57(52)61-56)60(44-29-25-40(26-30-44)49-21-11-14-39-13-7-8-19-48(39)49)45-31-27-41(28-32-45)50-22-12-23-53-51-20-9-10-24-55(51)62-58(50)53;1-3-12-36(13-4-1)55(37-14-5-2-6-15-37)39-27-31-52-48(32-39)45-29-26-41(34-53(45)58-52)56(40-28-30-51-47(33-40)44-17-8-9-20-49(44)57-51)38-24-22-35(23-25-38)42-18-11-19-46-43-16-7-10-21-50(43)59-54(42)46;1-4-13-32(14-5-1)47(33-15-6-2-7-16-33)35-22-26-43-41(28-35)39-25-21-37(30-45(39)49-43)48(34-17-8-3-9-18-34)36-23-27-44-42(29-36)40-24-20-31-12-10-11-19-38(31)46(40)50-44/h1-38H;1-34H;1-30H
InChIKeyAKABDQVBPFHAQS-UHFFFAOYSA-N
MW2309.06 g/mol
LogP49.76
Rot. Bonds21

About 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

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 (PubChem CID 157139417) has the molecular formula C158H102N6S7 and a molecular weight of 2309.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID157139417
Molecular FormulaC158H102N6S7
Molecular Weight2309.06 g/mol
Exact Mass2306.62
IUPAC Name7-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
SMILESc1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5ccc6sc7ccccc7c6c5)ccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-c6cccc7c6sc6ccccc67)cc5)ccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccccc5)c5ccc6sc7c8ccccc8ccc7c6c5)ccc4c3c2)cc1
InChIInChI=1S/C58H38N2S2.C54H34N2S3.C46H30N2S2/c1-3-15-42(16-4-1)59(43-17-5-2-6-18-43)46-34-36-56-54(37-46)52-35-33-47(38-57(52)61-56)60(44-29-25-40(26-30-44)49-21-11-14-39-13-7-8-19-48(39)49)45-31-27-41(28-32-45)50-22-12-23-53-51-20-9-10-24-55(51)62-58(50)53;1-3-12-36(13-4-1)55(37-14-5-2-6-15-37)39-27-31-52-48(32-39)45-29-26-41(34-53(45)58-52)56(40-28-30-51-47(33-40)44-17-8-9-20-49(44)57-51)38-24-22-35(23-25-38)42-18-11-19-46-43-16-7-10-21-50(43)59-54(42)46;1-4-13-32(14-5-1)47(33-15-6-2-7-16-33)35-22-26-43-41(28-35)39-25-21-37(30-45(39)49-43)48(34-17-8-3-9-18-34)36-23-27-44-42(29-36)40-24-20-31-12-10-11-19-38(31)46(40)50-44/h1-38H;1-34H;1-30H
InChIKeyAKABDQVBPFHAQS-UHFFFAOYSA-N
XLogP49.76
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002309.06
LogP ≤ 549.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

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
3-dibenzothiophen-4-yl-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 168766727
N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-2-amine
CID 170039130
N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-phenylphenanthren-3-amine
CID 165003854
N,N-bis(3-dibenzothiophen-4-ylphenyl)-3-phenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;3-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;7-dibenzothiophen-4-yl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 161495248
N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine
CID 169285320
N-phenanthren-3-yl-N-(4-phenanthren-1-ylphenyl)dibenzothiophen-3-amine
CID 168809970
N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167396719
N-chrysen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 170130743
N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
CID 166917554
4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 90351007
N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167324291

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5ccc6sc7ccccc7c6c5)ccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-c6cccc7c6sc6ccccc67)cc5)ccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccccc5)c5ccc6sc7c8ccccc8ccc7c6c5)ccc4c3c2)cc1.
What is the InChIKey of 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?
The InChIKey is AKABDQVBPFHAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2S2.C54H34N2S3.C46H30N2S2/c1-3-15-42(16-4-1)59(43-17-5-2-6-18-43)46-34-36-56-54(37-46)52-35-33-47(38-57(52)61-56)60(44-29-25-40(26-30-44)49-21-11-14-39-13-7-8-19-48(39)49)45-31-27-41(28-32-45)50-22-12-23-53-51-20-9-10-24-55(51)62-58(50)53;1-3-12-36(13-4-1)55(37-14-5-2-6-15-37)39-27-31-52-48(32-39)45-29-26-41(34-53(45)58-52)56(40-28-30-51-47(33-40)44-17-8-9-20-49(44)57-51)38-24-22-35(23-25-38)42-18-11-19-46-43-16-7-10-21-50(43)59-54(42)46;1-4-13-32(14-5-1)47(33-15-6-2-7-16-33)35-22-26-43-41(28-35)39-25-21-37(30-45(39)49-43)48(34-17-8-3-9-18-34)36-23-27-44-42(29-36)40-24-20-31-12-10-11-19-38(31)46(40)50-44/h1-38H;1-34H;1-30H.
What are the key properties of 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?
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 has a molecular weight of 2309.06 g/mol, XLogP of 49.76, 21 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157139417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).