N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine

C68H51NS — CID 163486217

IUPACN-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4sc5cc(-c6ccc7c(c6)C6(c8ccccc8-7)C7CC8CC(C7)CC6C8)ccc5c4c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C68H51NS/c1-3-12-45(13-4-1)58-32-28-54(41-62(58)47-14-5-2-6-15-47)69(53-26-22-48(23-27-53)57-20-11-17-46-16-7-8-18-56(46)57)55-29-33-66-63(42-55)61-31-25-50(40-67(61)70-66)49-24-30-60-59-19-9-10-21-64(59)68(65(60)39-49)51-35-43-34-44(37-51)38-52(68)36-43/h1-33,39-44,51-52H,34-38H2
InChIKeyZUVILWXRJLVEEE-UHFFFAOYSA-N
MW914.23 g/mol
LogP19.07
Rot. Bonds7

About N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine

N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine (PubChem CID 163486217) has the molecular formula C68H51NS and a molecular weight of 914.23 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine
PubChem CID163486217
Molecular FormulaC68H51NS
Molecular Weight914.23 g/mol
Exact Mass913.37
IUPAC NameN-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4sc5cc(-c6ccc7c(c6)C6(c8ccccc8-7)C7CC8CC(C7)CC6C8)ccc5c4c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C68H51NS/c1-3-12-45(13-4-1)58-32-28-54(41-62(58)47-14-5-2-6-15-47)69(53-26-22-48(23-27-53)57-20-11-17-46-16-7-8-18-56(46)57)55-29-33-66-63(42-55)61-31-25-50(40-67(61)70-66)49-24-30-60-59-19-9-10-21-64(59)68(65(60)39-49)51-35-43-34-44(37-51)38-52(68)36-43/h1-33,39-44,51-52H,34-38H2
InChIKeyZUVILWXRJLVEEE-UHFFFAOYSA-N
XLogP19.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.23
LogP ≤ 519.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 163601569
N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(4-triphenylsilylphenyl)dibenzothiophen-2-amine
CID 157099087
N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine
CID 159214980
N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine;methane;N-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 163650615
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-(4-dibenzothiophen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170113387
N-dibenzofuran-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine
CID 159274330
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 158962304
N-(4-dibenzofuran-2-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 163702673
N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393603
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine
CID 156568019
N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine
CID 170118882

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine (CID 163486217) is N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4sc5cc(-c6ccc7c(c6)C6(c8ccccc8-7)C7CC8CC(C7)CC6C8)ccc5c4c3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine?
The InChIKey is ZUVILWXRJLVEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H51NS/c1-3-12-45(13-4-1)58-32-28-54(41-62(58)47-14-5-2-6-15-47)69(53-26-22-48(23-27-53)57-20-11-17-46-16-7-8-18-56(46)57)55-29-33-66-63(42-55)61-31-25-50(40-67(61)70-66)49-24-30-60-59-19-9-10-21-64(59)68(65(60)39-49)51-35-43-34-44(37-51)38-52(68)36-43/h1-33,39-44,51-52H,34-38H2.
What are the key properties of N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine?
N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine has a molecular weight of 914.23 g/mol, XLogP of 19.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine is sourced from PubChem (CID 163486217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).