N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-yldibenzofuran-3-amine

C54H47NO — CID 168722506

IUPACN-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-yldibenzofuran-3-amine
SMILESc1ccc2c(c1)-c1ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)C4CCC5CC(C4)CC3C5)c3ccc4c(c3)oc3ccccc34)cc1C21CC2CCC1C2
InChIInChI=1S/C54H47NO/c1-4-10-47-41(7-1)43-20-17-38(28-49(43)53(47)31-33-14-15-35(53)25-33)55(40-19-22-46-45-9-3-6-12-51(45)56-52(46)30-40)39-18-21-44-42-8-2-5-11-48(42)54(50(44)29-39)36-16-13-32-23-34(26-36)27-37(54)24-32/h1-12,17-22,28-30,32-37H,13-16,23-27,31H2
InChIKeyAFUFEGOIMRJOBO-UHFFFAOYSA-N
MW725.98 g/mol
LogP14.26
Rot. Bonds3

About N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-yldibenzofuran-3-amine

N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-yldibenzofuran-3-amine (PubChem CID 168722506) has the molecular formula C54H47NO and a molecular weight of 725.98 g/mol. Its IUPAC name is N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-yldibenzofuran-3-amine
PubChem CID168722506
Molecular FormulaC54H47NO
Molecular Weight725.98 g/mol
Exact Mass725.37
IUPAC NameN-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-yldibenzofuran-3-amine
SMILESc1ccc2c(c1)-c1ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)C4CCC5CC(C4)CC3C5)c3ccc4c(c3)oc3ccccc34)cc1C21CC2CCC1C2
InChIInChI=1S/C54H47NO/c1-4-10-47-41(7-1)43-20-17-38(28-49(43)53(47)31-33-14-15-35(53)25-33)55(40-19-22-46-45-9-3-6-12-51(45)56-52(46)30-40)39-18-21-44-42-8-2-5-11-48(42)54(50(44)29-39)36-16-13-32-23-34(26-36)27-37(54)24-32/h1-12,17-22,28-30,32-37H,13-16,23-27,31H2
InChIKeyAFUFEGOIMRJOBO-UHFFFAOYSA-N
XLogP14.26
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.98
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-yldibenzofuran-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine
CID 168722758
N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-yldibenzofuran-1-amine
CID 168722735
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-yldibenzofuran-3-amine
CID 167056502
N-(4-phenylphenyl)-N-[(2R)-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-yl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722805
N-naphthalen-1-yl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine
CID 168722690
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393695
N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine
CID 155399634
N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine
CID 156573602
N-(4-phenylnaphthalen-1-yl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168722773
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-4-ylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-1'-amine
CID 168722436
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573683

Frequently Asked Questions

What is the IUPAC name of N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-yldibenzofuran-3-amine?
The IUPAC name of N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-yldibenzofuran-3-amine (CID 168722506) is N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-yldibenzofuran-3-amine.
What is the SMILES notation for N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-yldibenzofuran-3-amine?
The canonical SMILES for N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-yldibenzofuran-3-amine is c1ccc2c(c1)-c1ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)C4CCC5CC(C4)CC3C5)c3ccc4c(c3)oc3ccccc34)cc1C21CC2CCC1C2.
What is the InChIKey of N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-yldibenzofuran-3-amine?
The InChIKey is AFUFEGOIMRJOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H47NO/c1-4-10-47-41(7-1)43-20-17-38(28-49(43)53(47)31-33-14-15-35(53)25-33)55(40-19-22-46-45-9-3-6-12-51(45)56-52(46)30-40)39-18-21-44-42-8-2-5-11-48(42)54(50(44)29-39)36-16-13-32-23-34(26-36)27-37(54)24-32/h1-12,17-22,28-30,32-37H,13-16,23-27,31H2.
What are the key properties of N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-yldibenzofuran-3-amine?
N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-yldibenzofuran-3-amine has a molecular weight of 725.98 g/mol, XLogP of 14.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-yldibenzofuran-3-amine is sourced from PubChem (CID 168722506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).