2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline

C65H41NS — CID 167326040

IUPAC2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)c2ccc(-c3cccc4ccccc34)cc2)c(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C65H41NS/c1-2-17-48-43(15-1)16-13-23-49(48)44-33-38-47(39-34-44)66(61-28-11-6-21-54(61)55-24-14-30-63-64(55)56-22-7-12-29-62(56)67-63)46-36-31-42(32-37-46)45-35-40-53-52-20-5-10-27-59(52)65(60(53)41-45)57-25-8-3-18-50(57)51-19-4-9-26-58(51)65/h1-41H
InChIKeyZNUFGFFDOYBISL-UHFFFAOYSA-N
MW868.12 g/mol
LogP18.02
Rot. Bonds6

About 2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline

2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline (PubChem CID 167326040) has the molecular formula C65H41NS and a molecular weight of 868.12 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
PubChem CID167326040
Molecular FormulaC65H41NS
Molecular Weight868.12 g/mol
Exact Mass867.30
IUPAC Name2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)c2ccc(-c3cccc4ccccc34)cc2)c(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C65H41NS/c1-2-17-48-43(15-1)16-13-23-49(48)44-33-38-47(39-34-44)66(61-28-11-6-21-54(61)55-24-14-30-63-64(55)56-22-7-12-29-62(56)67-63)46-36-31-42(32-37-46)45-35-40-53-52-20-5-10-27-59(52)65(60(53)41-45)57-25-8-3-18-50(57)51-19-4-9-26-58(51)65/h1-41H
InChIKeyZNUFGFFDOYBISL-UHFFFAOYSA-N
XLogP18.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.12
LogP ≤ 518.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzothiophen-4-yl-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326289
N-(2-dibenzothiophen-1-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 176583107
2-dibenzothiophen-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326123
2-dibenzothiophen-1-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326460
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583138
N-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309086
N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-amine
CID 147331845
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 167324838
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324649
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847833
2-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326060
2-dibenzothiophen-1-yl-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167325878

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline?
The IUPAC name of 2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline (CID 167326040) is 2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline.
What is the SMILES notation for 2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline?
The canonical SMILES for 2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline is c1ccc(N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)c2ccc(-c3cccc4ccccc34)cc2)c(-c2cccc3sc4ccccc4c23)c1.
What is the InChIKey of 2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline?
The InChIKey is ZNUFGFFDOYBISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41NS/c1-2-17-48-43(15-1)16-13-23-49(48)44-33-38-47(39-34-44)66(61-28-11-6-21-54(61)55-24-14-30-63-64(55)56-22-7-12-29-62(56)67-63)46-36-31-42(32-37-46)45-35-40-53-52-20-5-10-27-59(52)65(60(53)41-45)57-25-8-3-18-50(57)51-19-4-9-26-58(51)65/h1-41H.
What are the key properties of 2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline?
2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline has a molecular weight of 868.12 g/mol, XLogP of 18.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline is sourced from PubChem (CID 167326040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).