N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine

C67H55NS — CID 170302131

IUPACN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5sc6ccccc6c45)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C67H55NS/c1-65(2,3)48-40-45(41-49(42-48)66(4,5)6)51-31-19-22-44-23-20-32-55(63(44)51)54-29-14-17-34-59(54)68(60-35-21-37-62-64(60)56-30-15-18-36-61(56)69-62)50-38-39-53-52-28-13-16-33-57(52)67(58(53)43-50,46-24-9-7-10-25-46)47-26-11-8-12-27-47/h7-43H,1-6H3
InChIKeyLPMWOGOFKNAXPL-UHFFFAOYSA-N
MW906.25 g/mol
LogP18.97
Rot. Bonds7

About N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine (PubChem CID 170302131) has the molecular formula C67H55NS and a molecular weight of 906.25 g/mol. Its IUPAC name is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine
PubChem CID170302131
Molecular FormulaC67H55NS
Molecular Weight906.25 g/mol
Exact Mass905.41
IUPAC NameN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5sc6ccccc6c45)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C67H55NS/c1-65(2,3)48-40-45(41-49(42-48)66(4,5)6)51-31-19-22-44-23-20-32-55(63(44)51)54-29-14-17-34-59(54)68(60-35-21-37-62-64(60)56-30-15-18-36-61(56)69-62)50-38-39-53-52-28-13-16-33-57(52)67(58(53)43-50,46-24-9-7-10-25-46)47-26-11-8-12-27-47/h7-43H,1-6H3
InChIKeyLPMWOGOFKNAXPL-UHFFFAOYSA-N
XLogP18.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.25
LogP ≤ 518.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine
CID 170301867
N-(3-dibenzothiophen-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(4-phenylphenyl)aniline
CID 170296596
2-dibenzothiophen-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170302138
N-(5-tert-butyl-2-phenylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170292168
2',7'-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170304818
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(9,9-diphenylfluoren-4-yl)-N-phenylaniline
CID 170294072
3,5-ditert-butyl-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170291584
N-(4-dibenzothiophen-1-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 170301774
N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170302327
2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]aniline
CID 170293847
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 170296566
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-2-amine
CID 170302086

Frequently Asked Questions

What is the IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine?
The IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine (CID 170302131) is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine.
What is the SMILES notation for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine?
The canonical SMILES for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5sc6ccccc6c45)c23)cc(C(C)(C)C)c1.
What is the InChIKey of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine?
The InChIKey is LPMWOGOFKNAXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H55NS/c1-65(2,3)48-40-45(41-49(42-48)66(4,5)6)51-31-19-22-44-23-20-32-55(63(44)51)54-29-14-17-34-59(54)68(60-35-21-37-62-64(60)56-30-15-18-36-61(56)69-62)50-38-39-53-52-28-13-16-33-57(52)67(58(53)43-50,46-24-9-7-10-25-46)47-26-11-8-12-27-47/h7-43H,1-6H3.
What are the key properties of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine?
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine has a molecular weight of 906.25 g/mol, XLogP of 18.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine is sourced from PubChem (CID 170302131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).