N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-4-amine

C61H45NO — CID 170302229

IUPACN-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc6c(c5)C5(c7ccccc7-6)C6CC7CC(C6)C5C7)cc4)c4cccc5c4oc4ccccc45)c23)cc1
InChIInChI=1S/C61H45NO/c1-2-13-40(14-3-1)46-20-10-15-41-16-11-21-51(59(41)46)49-18-5-8-24-56(49)62(57-25-12-22-52-50-19-6-9-26-58(50)63-60(52)57)45-30-27-39(28-31-45)42-29-32-48-47-17-4-7-23-53(47)61(55(48)37-42)44-34-38-33-43(36-44)54(61)35-38/h1-32,37-38,43-44,54H,33-36H2
InChIKeyHHBNTHSBKJCNHO-UHFFFAOYSA-N
MW808.04 g/mol
LogP16.54
Rot. Bonds6

About N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-4-amine

N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-4-amine (PubChem CID 170302229) has the molecular formula C61H45NO and a molecular weight of 808.04 g/mol. Its IUPAC name is N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-4-amine
PubChem CID170302229
Molecular FormulaC61H45NO
Molecular Weight808.04 g/mol
Exact Mass807.35
IUPAC NameN-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc6c(c5)C5(c7ccccc7-6)C6CC7CC(C6)C5C7)cc4)c4cccc5c4oc4ccccc45)c23)cc1
InChIInChI=1S/C61H45NO/c1-2-13-40(14-3-1)46-20-10-15-41-16-11-21-51(59(41)46)49-18-5-8-24-56(49)62(57-25-12-22-52-50-19-6-9-26-58(50)63-60(52)57)45-30-27-39(28-31-45)42-29-32-48-47-17-4-7-23-53(47)61(55(48)37-42)44-34-38-33-43(36-44)54(61)35-38/h1-32,37-38,43-44,54H,33-36H2
InChIKeyHHBNTHSBKJCNHO-UHFFFAOYSA-N
XLogP16.54
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.04
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-4-amine with MolForge

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Related Compounds

N-[4-(7-carbazol-9-ylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 156578364
N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-3-amine
CID 155402354
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-(4-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine
CID 170300460
N-(3-phenylphenyl)-N-(6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)dibenzofuran-3-amine
CID 170085152
N-(4-phenylphenyl)-N-[4-[3-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]dibenzofuran-1-amine;N-(4-phenylphenyl)-N-[4-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[4-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]dibenzofuran-2-amine;N-(4-phenylphenyl)-N-[4-[4-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 163902822
N-(4-phenylnaphthalen-1-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine;N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-2-amine;N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-1-amine
CID 161481713
N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 172503187
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573656
N-(3-dibenzofuran-4-ylphenyl)-2-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170302589
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566139
N-(4-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170294710

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-4-amine (CID 170302229) is N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-4-amine is c1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc6c(c5)C5(c7ccccc7-6)C6CC7CC(C6)C5C7)cc4)c4cccc5c4oc4ccccc45)c23)cc1.
What is the InChIKey of N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-4-amine?
The InChIKey is HHBNTHSBKJCNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45NO/c1-2-13-40(14-3-1)46-20-10-15-41-16-11-21-51(59(41)46)49-18-5-8-24-56(49)62(57-25-12-22-52-50-19-6-9-26-58(50)63-60(52)57)45-30-27-39(28-31-45)42-29-32-48-47-17-4-7-23-53(47)61(55(48)37-42)44-34-38-33-43(36-44)54(61)35-38/h1-32,37-38,43-44,54H,33-36H2.
What are the key properties of N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-4-amine?
N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-4-amine has a molecular weight of 808.04 g/mol, XLogP of 16.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 170302229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).