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

C58H53NO — CID 168722735

IUPACN-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
SMILESc1ccc2c(c1)-c1cc(N(c3ccc4c(c3)C3(c5ccccc5-4)C4CCC5CC(C4)CC3C5)c3cccc4oc5ccccc5c34)ccc1C21C2CCC3CC(C2)CC1C3
InChIInChI=1S/C58H53NO/c1-4-11-49-44(8-1)46-22-20-43(33-52(46)58(49)39-19-17-35-25-37(29-39)31-41(58)27-35)59(53-13-7-15-55-56(53)47-10-3-6-14-54(47)60-55)42-21-23-51-48(32-42)45-9-2-5-12-50(45)57(51)38-18-16-34-24-36(28-38)30-40(57)26-34/h1-15,20-23,32-41H,16-19,24-31H2
InChIKeyASUJQMRFGCPYNW-UHFFFAOYSA-N
MW780.07 g/mol
LogP15.28
Rot. Bonds3

About 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

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 (PubChem CID 168722735) has the molecular formula C58H53NO and a molecular weight of 780.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID168722735
Molecular FormulaC58H53NO
Molecular Weight780.07 g/mol
Exact Mass779.41
IUPAC NameN-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
SMILESc1ccc2c(c1)-c1cc(N(c3ccc4c(c3)C3(c5ccccc5-4)C4CCC5CC(C4)CC3C5)c3cccc4oc5ccccc5c34)ccc1C21C2CCC3CC(C2)CC1C3
InChIInChI=1S/C58H53NO/c1-4-11-49-44(8-1)46-22-20-43(33-52(46)58(49)39-19-17-35-25-37(29-39)31-41(58)27-35)59(53-13-7-15-55-56(53)47-10-3-6-14-54(47)60-55)42-21-23-51-48(32-42)45-9-2-5-12-50(45)57(51)38-18-16-34-24-36(28-38)30-40(57)26-34/h1-15,20-23,32-41H,16-19,24-31H2
InChIKeyASUJQMRFGCPYNW-UHFFFAOYSA-N
XLogP15.28
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.07
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 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-spiro[cyclopentane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,12'-tricyclo[4.4.1.13,9]dodecane]-3-yldibenzofuran-1-amine
CID 168722338
N-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)dibenzofuran-1-amine
CID 176594821
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-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
N,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine
CID 168722758
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-phenyl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-1-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-amine
CID 168722546
N-(3-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N-(4-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N-(4-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-1-amine
CID 157240571
N-(3-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170217258
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170215998
N,N-di(spiro[adamantane-2,9'-fluorene]-3'-yl)dibenzothiophen-1-amine
CID 168722561
N-naphthalen-1-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393699

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)-c1cc(N(c3ccc4c(c3)C3(c5ccccc5-4)C4CCC5CC(C4)CC3C5)c3cccc4oc5ccccc5c34)ccc1C21C2CCC3CC(C2)CC1C3.
What is the InChIKey of 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?
The InChIKey is ASUJQMRFGCPYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H53NO/c1-4-11-49-44(8-1)46-22-20-43(33-52(46)58(49)39-19-17-35-25-37(29-39)31-41(58)27-35)59(53-13-7-15-55-56(53)47-10-3-6-14-54(47)60-55)42-21-23-51-48(32-42)45-9-2-5-12-50(45)57(51)38-18-16-34-24-36(28-38)30-40(57)26-34/h1-15,20-23,32-41H,16-19,24-31H2.
What are the key properties of 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?
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 has a molecular weight of 780.07 g/mol, XLogP of 15.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168722735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).