N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine

C64H49NS — CID 170118882

IUPACN-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C64H49NS/c1-2-15-44(16-3-1)49-17-4-5-18-50(49)51-19-6-7-20-52(51)55-22-9-12-26-60(55)65(61-27-14-24-57-56-23-10-13-28-62(56)66-63(57)61)48-32-29-43(30-33-48)45-31-34-54-53-21-8-11-25-58(53)64(59(54)40-45)46-36-41-35-42(38-46)39-47(64)37-41/h1-34,40-42,46-47H,35-39H2
InChIKeyTYHRHDKDENOGDR-UHFFFAOYSA-N
MW864.17 g/mol
LogP17.91
Rot. Bonds7

About N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine

N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine (PubChem CID 170118882) has the molecular formula C64H49NS and a molecular weight of 864.17 g/mol. Its IUPAC name is N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine
PubChem CID170118882
Molecular FormulaC64H49NS
Molecular Weight864.17 g/mol
Exact Mass863.36
IUPAC NameN-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C64H49NS/c1-2-15-44(16-3-1)49-17-4-5-18-50(49)51-19-6-7-20-52(51)55-22-9-12-26-60(55)65(61-27-14-24-57-56-23-10-13-28-62(56)66-63(57)61)48-32-29-43(30-33-48)45-31-34-54-53-21-8-11-25-58(53)64(59(54)40-45)46-36-41-35-42(38-46)39-47(64)37-41/h1-34,40-42,46-47H,35-39H2
InChIKeyTYHRHDKDENOGDR-UHFFFAOYSA-N
XLogP17.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.17
LogP ≤ 517.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170113387
N-(4-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-4-amine
CID 156573616
N-(4-dibenzothiophen-2-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 161287905
N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 156567686
5-[3-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]-2-spiro[adamantane-2,9'-fluorene]-3'-ylbenzonitrile
CID 156573613
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 158962304
N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-1-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-1-amine
CID 163876637
N-[2-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 139322283
2'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];4-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene
CID 164976675
N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167413747
4-[4-[10-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]anthracen-9-yl]phenyl]dibenzothiophene
CID 164819318
N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine
CID 163486217

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine (CID 170118882) is N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc2)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine?
The InChIKey is TYHRHDKDENOGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H49NS/c1-2-15-44(16-3-1)49-17-4-5-18-50(49)51-19-6-7-20-52(51)55-22-9-12-26-60(55)65(61-27-14-24-57-56-23-10-13-28-62(56)66-63(57)61)48-32-29-43(30-33-48)45-31-34-54-53-21-8-11-25-58(53)64(59(54)40-45)46-36-41-35-42(38-46)39-47(64)37-41/h1-34,40-42,46-47H,35-39H2.
What are the key properties of N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine?
N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine has a molecular weight of 864.17 g/mol, XLogP of 17.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 170118882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).