8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-[6-(N-(4-dibenzothiophen-2-yl-6-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine

C108H70N4OS2 — CID 164934364

About 8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-[6-(N-(4-dibenzothiophen-2-yl-6-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine

8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-[6-(N-(4-dibenzothiophen-2-yl-6-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine (PubChem CID 164934364) has the molecular formula C108H70N4OS2 and a molecular weight of 1503.91 g/mol. Its IUPAC name is 8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-[6-(N-(4-dibenzothiophen-2-yl-6-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine.

Molecular Properties

• Compound Name: 8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-[6-(N-(4-dibenzothiophen-2-yl-6-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine
• PubChem CID: 164934364
• Molecular Formula: C108H70N4OS2
• Molecular Weight: 1503.91 g/mol
• Exact Mass: 1502.50
• IUPAC Name: 8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-[6-(N-(4-dibenzothiophen-2-yl-6-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine
• SMILES: c1ccc(-c2ccc3c(N(c4ccccc4)c4ccc5c(N(c6ccccc6)c6ccc7c(-c8c(N(c9ccccc9)c9ccccc9)ccc9oc%10ccc(N(c%11ccccc%11)c%11cccc(-c%12cccc%13sc%14ccccc%14c%12%13)c%11)cc%10c89)cccc7c6)cccc5c4)ccc(-c4ccc5sc6ccccc6c5c4)c3c2)cc1
• InChI: InChI=1S/C108H70N4OS2/c1-7-27-71(28-8-1)72-51-56-90-94(68-72)87(76-52-64-104-95(69-76)91-43-19-21-48-102(91)114-104)59-60-98(90)112(81-40-17-6-18-41-81)84-54-58-88-74(66-84)31-25-47-97(88)111(80-38-15-5-16-39-80)83-53-57-86-73(65-83)30-24-46-92(86)107-99(110(78-34-11-3-12-35-78)79-36-13-4-14-37-79)61-63-101-108(107)96-70-85(55-62-100(96)113-101)109(77-32-9-2-10-33-77)82-42-23-29-75(67-82)89-45-26-50-105-106(89)93-44-20-22-49-103(93)115-105/h1-70H
• InChIKey: KEXZRWNDILGJPM-UHFFFAOYSA-N
• XLogP: 32.33
• TPSA: 26.10 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1503.91
LogP ≤ 5	32.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-[6-(N-(4-dibenzothiophen-2-yl-6-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine?

The IUPAC name of 8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-[6-(N-(4-dibenzothiophen-2-yl-6-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine (CID 164934364) is 8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-[6-(N-(4-dibenzothiophen-2-yl-6-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine.

What is the SMILES notation for 8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-[6-(N-(4-dibenzothiophen-2-yl-6-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine?

The canonical SMILES for 8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-[6-(N-(4-dibenzothiophen-2-yl-6-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine is c1ccc(-c2ccc3c(N(c4ccccc4)c4ccc5c(N(c6ccccc6)c6ccc7c(-c8c(N(c9ccccc9)c9ccccc9)ccc9oc%10ccc(N(c%11ccccc%11)c%11cccc(-c%12cccc%13sc%14ccccc%14c%12%13)c%11)cc%10c89)cccc7c6)cccc5c4)ccc(-c4ccc5sc6ccccc6c5c4)c3c2)cc1.

What is the InChIKey of 8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-[6-(N-(4-dibenzothiophen-2-yl-6-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine?

The InChIKey is KEXZRWNDILGJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H70N4OS2/c1-7-27-71(28-8-1)72-51-56-90-94(68-72)87(76-52-64-104-95(69-76)91-43-19-21-48-102(91)114-104)59-60-98(90)112(81-40-17-6-18-41-81)84-54-58-88-74(66-84)31-25-47-97(88)111(80-38-15-5-16-39-80)83-53-57-86-73(65-83)30-24-46-92(86)107-99(110(78-34-11-3-12-35-78)79-36-13-4-14-37-79)61-63-101-108(107)96-70-85(55-62-100(96)113-101)109(77-32-9-2-10-33-77)82-42-23-29-75(67-82)89-45-26-50-105-106(89)93-44-20-22-49-103(93)115-105/h1-70H.

What are the key properties of 8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-[6-(N-(4-dibenzothiophen-2-yl-6-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine?

8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-[6-(N-(4-dibenzothiophen-2-yl-6-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine has a molecular weight of 1503.91 g/mol, XLogP of 32.33, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-[6-(N-(4-dibenzothiophen-2-yl-6-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine is sourced from PubChem (CID 164934364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).