8-N-dibenzothiophen-2-yl-8-N,10-N-diphenyl-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine

C52H34N2S2 — CID 166856583

IUPAC8-N-dibenzothiophen-2-yl-8-N,10-N-diphenyl-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cc4c3sc3c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C52H34N2S2/c1-4-14-35(15-5-1)36-24-27-40(28-25-36)54(39-19-8-3-9-20-39)48-34-42(33-47-45-30-26-37-16-10-11-21-43(37)51(45)56-52(47)48)53(38-17-6-2-7-18-38)41-29-31-50-46(32-41)44-22-12-13-23-49(44)55-50/h1-34H
InChIKeyGFRVXAWLUWJHCK-UHFFFAOYSA-N
MW750.99 g/mol
LogP16.18
Rot. Bonds7

About 8-N-dibenzothiophen-2-yl-8-N,10-N-diphenyl-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine

8-N-dibenzothiophen-2-yl-8-N,10-N-diphenyl-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine (PubChem CID 166856583) has the molecular formula C52H34N2S2 and a molecular weight of 750.99 g/mol. Its IUPAC name is 8-N-dibenzothiophen-2-yl-8-N,10-N-diphenyl-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine.

Molecular Properties

Compound Name8-N-dibenzothiophen-2-yl-8-N,10-N-diphenyl-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine
PubChem CID166856583
Molecular FormulaC52H34N2S2
Molecular Weight750.99 g/mol
Exact Mass750.22
IUPAC Name8-N-dibenzothiophen-2-yl-8-N,10-N-diphenyl-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cc4c3sc3c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C52H34N2S2/c1-4-14-35(15-5-1)36-24-27-40(28-25-36)54(39-19-8-3-9-20-39)48-34-42(33-47-45-30-26-37-16-10-11-21-43(37)51(45)56-52(47)48)53(38-17-6-2-7-18-38)41-29-31-50-46(32-41)44-22-12-13-23-49(44)55-50/h1-34H
InChIKeyGFRVXAWLUWJHCK-UHFFFAOYSA-N
XLogP16.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.99
LogP ≤ 516.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-N,10-N-dinaphthalen-2-yl-10-N-phenyl-8-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine
CID 166856058
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
2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine
CID 121327989
N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 161138976
1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 165046461
8-dibenzothiophen-4-yl-2-N,4-N-dinaphthalen-2-yl-2-N,4-N-diphenyldibenzothiophene-2,4-diamine
CID 153311677
2-N,2-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,4,7-triamine
CID 160948013
7-N-dibenzothiophen-1-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;7-N-phenanthren-2-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 159620715
N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine
CID 169285320
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
N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167396719
10-N-dibenzofuran-3-yl-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]-8-N-dibenzothiophen-2-yl-8-N,10-N-diphenylnaphtho[1,2-b][1]benzothiole-8,10-diamine
CID 158698574

Frequently Asked Questions

What is the IUPAC name of 8-N-dibenzothiophen-2-yl-8-N,10-N-diphenyl-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine?
The IUPAC name of 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) is 8-N-dibenzothiophen-2-yl-8-N,10-N-diphenyl-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine.
What is the SMILES notation for 8-N-dibenzothiophen-2-yl-8-N,10-N-diphenyl-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine?
The canonical SMILES for 8-N-dibenzothiophen-2-yl-8-N,10-N-diphenyl-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cc4c3sc3c5ccccc5ccc43)cc2)cc1.
What is the InChIKey of 8-N-dibenzothiophen-2-yl-8-N,10-N-diphenyl-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine?
The InChIKey is GFRVXAWLUWJHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S2/c1-4-14-35(15-5-1)36-24-27-40(28-25-36)54(39-19-8-3-9-20-39)48-34-42(33-47-45-30-26-37-16-10-11-21-43(37)51(45)56-52(47)48)53(38-17-6-2-7-18-38)41-29-31-50-46(32-41)44-22-12-13-23-49(44)55-50/h1-34H.
What are the key properties of 8-N-dibenzothiophen-2-yl-8-N,10-N-diphenyl-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine?
8-N-dibenzothiophen-2-yl-8-N,10-N-diphenyl-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine has a molecular weight of 750.99 g/mol, XLogP of 16.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-dibenzothiophen-2-yl-8-N,10-N-diphenyl-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine is sourced from PubChem (CID 166856583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).