N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine

C50H31NS2 — CID 166055346

IUPACN-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
SMILESc1ccc2cc(-c3ccc(N(c4ccc5sc6cccc(-c7cccc8ccccc78)c6c5c4)c4cccc5sc6ccccc6c45)cc3)ccc2c1
InChIInChI=1S/C50H31NS2/c1-2-12-35-30-36(23-22-32(35)10-1)33-24-26-37(27-25-33)51(44-18-9-21-48-50(44)42-15-5-6-19-45(42)52-48)38-28-29-46-43(31-38)49-41(17-8-20-47(49)53-46)40-16-7-13-34-11-3-4-14-39(34)40/h1-31H
InChIKeyCSXXEPAPIYVHDO-UHFFFAOYSA-N
MW709.94 g/mol
LogP15.53
Rot. Bonds5

About N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine

N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine (PubChem CID 166055346) has the molecular formula C50H31NS2 and a molecular weight of 709.94 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
PubChem CID166055346
Molecular FormulaC50H31NS2
Molecular Weight709.94 g/mol
Exact Mass709.19
IUPAC NameN-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
SMILESc1ccc2cc(-c3ccc(N(c4ccc5sc6cccc(-c7cccc8ccccc78)c6c5c4)c4cccc5sc6ccccc6c45)cc3)ccc2c1
InChIInChI=1S/C50H31NS2/c1-2-12-35-30-36(23-22-32(35)10-1)33-24-26-37(27-25-33)51(44-18-9-21-48-50(44)42-15-5-6-19-45(42)52-48)38-28-29-46-43(31-38)49-41(17-8-20-47(49)53-46)40-16-7-13-34-11-3-4-14-39(34)40/h1-31H
InChIKeyCSXXEPAPIYVHDO-UHFFFAOYSA-N
XLogP15.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.94
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-9-(4-phenylphenyl)dibenzothiophen-2-amine
CID 166055525
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167324059
2-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326060
9-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine
CID 167680897
N-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-amine
CID 166055489
N-[2-[2-(N-dibenzothiophen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-11-amine
CID 167086931
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 163651994
N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(3-phenylphenyl)dibenzothiophen-2-amine
CID 166055460
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 163818280
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 174256379
N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine
CID 174255832
N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)dibenzothiophen-2-amine
CID 176630528

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine (CID 166055346) is N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine is c1ccc2cc(-c3ccc(N(c4ccc5sc6cccc(-c7cccc8ccccc78)c6c5c4)c4cccc5sc6ccccc6c45)cc3)ccc2c1.
What is the InChIKey of N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine?
The InChIKey is CSXXEPAPIYVHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NS2/c1-2-12-35-30-36(23-22-32(35)10-1)33-24-26-37(27-25-33)51(44-18-9-21-48-50(44)42-15-5-6-19-45(42)52-48)38-28-29-46-43(31-38)49-41(17-8-20-47(49)53-46)40-16-7-13-34-11-3-4-14-39(34)40/h1-31H.
What are the key properties of N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine?
N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine has a molecular weight of 709.94 g/mol, XLogP of 15.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 166055346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).