N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-3-amine

C51H39NO — CID 155402354

IUPACN-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)C4C6)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C51H39NO/c1-2-8-33(9-3-1)34-14-19-39(20-15-34)52(41-23-25-45-44-11-5-7-13-49(44)53-50(45)31-41)40-21-16-35(17-22-40)36-18-24-43-42-10-4-6-12-46(42)51(48(43)30-36)38-27-32-26-37(29-38)47(51)28-32/h1-25,30-32,37-38,47H,26-29H2
InChIKeyRJOKJSBWXRRKSH-UHFFFAOYSA-N
MW681.88 g/mol
LogP13.72
Rot. Bonds5

About N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-3-amine

N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-3-amine (PubChem CID 155402354) has the molecular formula C51H39NO and a molecular weight of 681.88 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-3-amine
PubChem CID155402354
Molecular FormulaC51H39NO
Molecular Weight681.88 g/mol
Exact Mass681.30
IUPAC NameN-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)C4C6)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C51H39NO/c1-2-8-33(9-3-1)34-14-19-39(20-15-34)52(41-23-25-45-44-11-5-7-13-49(44)53-50(45)31-41)40-21-16-35(17-22-40)36-18-24-43-42-10-4-6-12-46(42)51(48(43)30-36)38-27-32-26-37(29-38)47(51)28-32/h1-25,30-32,37-38,47H,26-29H2
InChIKeyRJOKJSBWXRRKSH-UHFFFAOYSA-N
XLogP13.72
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.88
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-phenylphenyl)-N-(6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)dibenzofuran-3-amine
CID 170085152
N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine
CID 155399634
N,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine
CID 168722758
N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine
CID 162212897
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393695
N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine
CID 155394000
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
N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine
CID 158482387
N-dibenzofuran-3-yl-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine
CID 155402238
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-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573683
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

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-3-amine (CID 155402354) is N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)C4C6)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-3-amine?
The InChIKey is RJOKJSBWXRRKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39NO/c1-2-8-33(9-3-1)34-14-19-39(20-15-34)52(41-23-25-45-44-11-5-7-13-49(44)53-50(45)31-41)40-21-16-35(17-22-40)36-18-24-43-42-10-4-6-12-46(42)51(48(43)30-36)38-27-32-26-37(29-38)47(51)28-32/h1-25,30-32,37-38,47H,26-29H2.
What are the key properties of N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-3-amine?
N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-3-amine has a molecular weight of 681.88 g/mol, XLogP of 13.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 155402354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).