8-(3,5-diphenylphenyl)-N-(3-naphthalen-1-yl-5-phenylphenyl)dibenzothiophen-2-amine

C52H35NS — CID 118683821

IUPAC8-(3,5-diphenylphenyl)-N-(3-naphthalen-1-yl-5-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4sc5ccc(Nc6cc(-c7ccccc7)cc(-c7cccc8ccccc78)c6)cc5c4c3)c2)cc1
InChIInChI=1S/C52H35NS/c1-4-13-35(14-5-1)40-27-41(36-15-6-2-7-16-36)29-42(28-40)39-23-25-51-49(33-39)50-34-45(24-26-52(50)54-51)53-46-31-43(37-17-8-3-9-18-37)30-44(32-46)48-22-12-20-38-19-10-11-21-47(38)48/h1-34,53H
InChIKeyRBBYPIBODQOTKD-UHFFFAOYSA-N
MW705.93 g/mol
LogP15.29
Rot. Bonds7

About 8-(3,5-diphenylphenyl)-N-(3-naphthalen-1-yl-5-phenylphenyl)dibenzothiophen-2-amine

8-(3,5-diphenylphenyl)-N-(3-naphthalen-1-yl-5-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 118683821) has the molecular formula C52H35NS and a molecular weight of 705.93 g/mol. Its IUPAC name is 8-(3,5-diphenylphenyl)-N-(3-naphthalen-1-yl-5-phenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound Name8-(3,5-diphenylphenyl)-N-(3-naphthalen-1-yl-5-phenylphenyl)dibenzothiophen-2-amine
PubChem CID118683821
Molecular FormulaC52H35NS
Molecular Weight705.93 g/mol
Exact Mass705.25
IUPAC Name8-(3,5-diphenylphenyl)-N-(3-naphthalen-1-yl-5-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4sc5ccc(Nc6cc(-c7ccccc7)cc(-c7cccc8ccccc78)c6)cc5c4c3)c2)cc1
InChIInChI=1S/C52H35NS/c1-4-13-35(14-5-1)40-27-41(36-15-6-2-7-16-36)29-42(28-40)39-23-25-51-49(33-39)50-34-45(24-26-52(50)54-51)53-46-31-43(37-17-8-3-9-18-37)30-44(32-46)48-22-12-20-38-19-10-11-21-47(38)48/h1-34,53H
InChIKeyRBBYPIBODQOTKD-UHFFFAOYSA-N
XLogP15.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.93
LogP ≤ 515.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 164973575
N-(3,5-diphenylphenyl)dibenzothiophen-1-amine;N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(6-phenylnaphthalen-2-yl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 158916839
4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 171584318
3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine
CID 139380088
2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline
CID 170181035
4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-2-(3-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171585058
3-dibenzothiophen-1-yl-N-phenylaniline;3-dibenzothiophen-2-yl-N-phenylaniline;4-dibenzothiophen-4-yl-N-phenylaniline;3-(3-dibenzothiophen-1-ylphenyl)-N-phenylaniline
CID 167592386
4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171582809
N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-9-amine
CID 118616822
N,4-diphenyl-N-[4-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]phenyl]aniline;N-[4-[4-[3-(8-naphthalen-1-yldibenzothiophen-2-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-(8-naphthalen-1-yldibenzothiophen-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(8-naphthalen-1-yldibenzothiophen-2-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-[4-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 160840517
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 130359574
N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline
CID 168846083

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-diphenylphenyl)-N-(3-naphthalen-1-yl-5-phenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of 8-(3,5-diphenylphenyl)-N-(3-naphthalen-1-yl-5-phenylphenyl)dibenzothiophen-2-amine (CID 118683821) is 8-(3,5-diphenylphenyl)-N-(3-naphthalen-1-yl-5-phenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for 8-(3,5-diphenylphenyl)-N-(3-naphthalen-1-yl-5-phenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for 8-(3,5-diphenylphenyl)-N-(3-naphthalen-1-yl-5-phenylphenyl)dibenzothiophen-2-amine is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4sc5ccc(Nc6cc(-c7ccccc7)cc(-c7cccc8ccccc78)c6)cc5c4c3)c2)cc1.
What is the InChIKey of 8-(3,5-diphenylphenyl)-N-(3-naphthalen-1-yl-5-phenylphenyl)dibenzothiophen-2-amine?
The InChIKey is RBBYPIBODQOTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NS/c1-4-13-35(14-5-1)40-27-41(36-15-6-2-7-16-36)29-42(28-40)39-23-25-51-49(33-39)50-34-45(24-26-52(50)54-51)53-46-31-43(37-17-8-3-9-18-37)30-44(32-46)48-22-12-20-38-19-10-11-21-47(38)48/h1-34,53H.
What are the key properties of 8-(3,5-diphenylphenyl)-N-(3-naphthalen-1-yl-5-phenylphenyl)dibenzothiophen-2-amine?
8-(3,5-diphenylphenyl)-N-(3-naphthalen-1-yl-5-phenylphenyl)dibenzothiophen-2-amine has a molecular weight of 705.93 g/mol, XLogP of 15.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-diphenylphenyl)-N-(3-naphthalen-1-yl-5-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 118683821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).