2-dibenzothiophen-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline

C69H59NS — CID 170302138

IUPAC2-dibenzothiophen-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6c5-c5ccccc5C6(C)C)cc4)c4ccccc4-c4cccc5sc6ccccc6c45)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C69H59NS/c1-67(2,3)47-41-46(42-48(43-47)68(4,5)6)51-27-17-21-45-22-18-29-54(64(45)51)52-23-10-14-33-60(52)70(61-34-15-11-24-53(61)55-30-20-36-63-66(55)57-26-12-16-35-62(57)71-63)49-39-37-44(38-40-49)50-28-19-32-59-65(50)56-25-9-13-31-58(56)69(59,7)8/h9-43H,1-8H3
InChIKeyMXAOQHSFTYIQHF-UHFFFAOYSA-N
MW934.31 g/mol
LogP20.25
Rot. Bonds7

About 2-dibenzothiophen-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline

2-dibenzothiophen-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline (PubChem CID 170302138) has the molecular formula C69H59NS and a molecular weight of 934.31 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
PubChem CID170302138
Molecular FormulaC69H59NS
Molecular Weight934.31 g/mol
Exact Mass933.44
IUPAC Name2-dibenzothiophen-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6c5-c5ccccc5C6(C)C)cc4)c4ccccc4-c4cccc5sc6ccccc6c45)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C69H59NS/c1-67(2,3)47-41-46(42-48(43-47)68(4,5)6)51-27-17-21-45-22-18-29-54(64(45)51)52-23-10-14-33-60(52)70(61-34-15-11-24-53(61)55-30-20-36-63-66(55)57-26-12-16-35-62(57)71-63)49-39-37-44(38-40-49)50-28-19-32-59-65(50)56-25-9-13-31-58(56)69(59,7)8/h9-43H,1-8H3
InChIKeyMXAOQHSFTYIQHF-UHFFFAOYSA-N
XLogP20.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.31
LogP ≤ 520.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-dibenzothiophen-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline with MolForge

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Related Compounds

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-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-amine
CID 170303543
2-dibenzothiophen-1-yl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170302469
N-(3-dibenzothiophen-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(4-phenylphenyl)aniline
CID 170296596
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303519
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine
CID 170302131
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170293567
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine
CID 170301867
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-dibenzothiophen-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-4-amine
CID 176583192
N-(4-dibenzothiophen-1-ylphenyl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine
CID 164929371
2-dibenzothiophen-1-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326460

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline?
The IUPAC name of 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) is 2-dibenzothiophen-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline.
What is the SMILES notation for 2-dibenzothiophen-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline?
The canonical SMILES for 2-dibenzothiophen-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6c5-c5ccccc5C6(C)C)cc4)c4ccccc4-c4cccc5sc6ccccc6c45)c23)cc(C(C)(C)C)c1.
What is the InChIKey of 2-dibenzothiophen-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline?
The InChIKey is MXAOQHSFTYIQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H59NS/c1-67(2,3)47-41-46(42-48(43-47)68(4,5)6)51-27-17-21-45-22-18-29-54(64(45)51)52-23-10-14-33-60(52)70(61-34-15-11-24-53(61)55-30-20-36-63-66(55)57-26-12-16-35-62(57)71-63)49-39-37-44(38-40-49)50-28-19-32-59-65(50)56-25-9-13-31-58(56)69(59,7)8/h9-43H,1-8H3.
What are the key properties of 2-dibenzothiophen-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline?
2-dibenzothiophen-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline has a molecular weight of 934.31 g/mol, XLogP of 20.25, 7 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-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline is sourced from PubChem (CID 170302138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).