N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline

C67H47NS — CID 170302446

IUPACN-(3-dibenzothiophen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5cccc6sc7ccccc7c56)c4)c4ccccc4-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC7CC4C675)c23)cc1
InChIInChI=1S/C67H47NS/c1-2-16-41(17-3-1)49-26-13-18-42-19-14-28-54(64(42)49)53-24-6-10-31-59(53)68(47-21-12-20-43(36-47)50-27-15-33-61-65(50)55-25-7-11-32-60(55)69-61)58-30-9-5-22-48(58)44-34-35-52-51-23-4-8-29-56(51)67(57(52)37-44)62-39-45-38-46-40-63(67)66(45,46)62/h1-37,45-46,62-63H,38-40H2
InChIKeyUUMAMGRSQVHTOU-UHFFFAOYSA-N
MW898.19 g/mol
LogP18.29
Rot. Bonds7

About N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline

N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline (PubChem CID 170302446) has the molecular formula C67H47NS and a molecular weight of 898.19 g/mol. Its IUPAC name is N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline.

Molecular Properties

Compound NameN-(3-dibenzothiophen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline
PubChem CID170302446
Molecular FormulaC67H47NS
Molecular Weight898.19 g/mol
Exact Mass897.34
IUPAC NameN-(3-dibenzothiophen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5cccc6sc7ccccc7c56)c4)c4ccccc4-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC7CC4C675)c23)cc1
InChIInChI=1S/C67H47NS/c1-2-16-41(17-3-1)49-26-13-18-42-19-14-28-54(64(42)49)53-24-6-10-31-59(53)68(47-21-12-20-43(36-47)50-27-15-33-61-65(50)55-25-7-11-32-60(55)69-61)58-30-9-5-22-48(58)44-34-35-52-51-23-4-8-29-56(51)67(57(52)37-44)62-39-45-38-46-40-63(67)66(45,46)62/h1-37,45-46,62-63H,38-40H2
InChIKeyUUMAMGRSQVHTOU-UHFFFAOYSA-N
XLogP18.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.19
LogP ≤ 518.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline with MolForge

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Related Compounds

2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylphenyl)aniline
CID 170292333
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline
CID 170304099
N-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-2-ylaniline
CID 170292027
N-(2-dibenzothiophen-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170300378
N-(3-dibenzothiophen-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(4-phenylphenyl)aniline
CID 170296596
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 170296068
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583138
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-phenanthren-1-ylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine
CID 170303707
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine
CID 170303856
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 167324838
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 167324190
N-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-amine
CID 170085848

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline?
The IUPAC name of N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline (CID 170302446) is N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline.
What is the SMILES notation for N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline?
The canonical SMILES for N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline is c1ccc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5cccc6sc7ccccc7c56)c4)c4ccccc4-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC7CC4C675)c23)cc1.
What is the InChIKey of N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline?
The InChIKey is UUMAMGRSQVHTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H47NS/c1-2-16-41(17-3-1)49-26-13-18-42-19-14-28-54(64(42)49)53-24-6-10-31-59(53)68(47-21-12-20-43(36-47)50-27-15-33-61-65(50)55-25-7-11-32-60(55)69-61)58-30-9-5-22-48(58)44-34-35-52-51-23-4-8-29-56(51)67(57(52)37-44)62-39-45-38-46-40-63(67)66(45,46)62/h1-37,45-46,62-63H,38-40H2.
What are the key properties of N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline?
N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline has a molecular weight of 898.19 g/mol, XLogP of 18.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline is sourced from PubChem (CID 170302446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).