N-spiro[cyclopentane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,12'-tricyclo[4.4.1.13,9]dodecane]-3-yldibenzofuran-1-amine

C53H47NO — CID 168722338

IUPACN-spiro[cyclopentane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,12'-tricyclo[4.4.1.13,9]dodecane]-3-yldibenzofuran-1-amine
SMILESc1ccc2c(c1)-c1ccc(N(c3ccc4c(c3)-c3ccccc3C43C4CCC5CCC3CC(C5)C4)c3cccc4oc5ccccc5c34)cc1C21CCCC1
InChIInChI=1S/C53H47NO/c1-4-13-44-39(10-1)41-24-22-38(32-47(41)52(44)26-7-8-27-52)54(48-15-9-17-50-51(48)42-12-3-6-16-49(42)55-50)37-23-25-46-43(31-37)40-11-2-5-14-45(40)53(46)35-20-18-33-19-21-36(53)30-34(28-33)29-35/h1-6,9-17,22-25,31-36H,7-8,18-21,26-30H2
InChIKeyOWOXKHLQRRQNPZ-UHFFFAOYSA-N
MW713.97 g/mol
LogP14.40
Rot. Bonds3

About N-spiro[cyclopentane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,12'-tricyclo[4.4.1.13,9]dodecane]-3-yldibenzofuran-1-amine

N-spiro[cyclopentane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,12'-tricyclo[4.4.1.13,9]dodecane]-3-yldibenzofuran-1-amine (PubChem CID 168722338) has the molecular formula C53H47NO and a molecular weight of 713.97 g/mol. Its IUPAC name is N-spiro[cyclopentane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,12'-tricyclo[4.4.1.13,9]dodecane]-3-yldibenzofuran-1-amine.

Molecular Properties

Compound NameN-spiro[cyclopentane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,12'-tricyclo[4.4.1.13,9]dodecane]-3-yldibenzofuran-1-amine
PubChem CID168722338
Molecular FormulaC53H47NO
Molecular Weight713.97 g/mol
Exact Mass713.37
IUPAC NameN-spiro[cyclopentane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,12'-tricyclo[4.4.1.13,9]dodecane]-3-yldibenzofuran-1-amine
SMILESc1ccc2c(c1)-c1ccc(N(c3ccc4c(c3)-c3ccccc3C43C4CCC5CCC3CC(C5)C4)c3cccc4oc5ccccc5c34)cc1C21CCCC1
InChIInChI=1S/C53H47NO/c1-4-13-44-39(10-1)41-24-22-38(32-47(41)52(44)26-7-8-27-52)54(48-15-9-17-50-51(48)42-12-3-6-16-49(42)55-50)37-23-25-46-43(31-37)40-11-2-5-14-45(40)53(46)35-20-18-33-19-21-36(53)30-34(28-33)29-35/h1-6,9-17,22-25,31-36H,7-8,18-21,26-30H2
InChIKeyOWOXKHLQRRQNPZ-UHFFFAOYSA-N
XLogP14.40
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.97
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-spiro[cyclopentane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,12'-tricyclo[4.4.1.13,9]dodecane]-3-yldibenzofuran-1-amine with MolForge

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Related Compounds

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-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)dibenzofuran-1-amine
CID 176594821
N-phenanthren-2-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine
CID 168722361
N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722342
N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine
CID 168722865
N-phenanthren-2-yl-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine
CID 168722503
N-(4-naphthalen-1-ylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine
CID 168723097
N-(3-naphthalen-1-ylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168722683
N-[5-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]naphthalen-1-yl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzofuran-3-amine
CID 174061698
N-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722611
N-(9,9-dimethylfluoren-2-yl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-amine
CID 168722320
N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168723100

Frequently Asked Questions

What is the IUPAC name of N-spiro[cyclopentane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,12'-tricyclo[4.4.1.13,9]dodecane]-3-yldibenzofuran-1-amine?
The IUPAC name of 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) is N-spiro[cyclopentane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,12'-tricyclo[4.4.1.13,9]dodecane]-3-yldibenzofuran-1-amine.
What is the SMILES notation for N-spiro[cyclopentane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,12'-tricyclo[4.4.1.13,9]dodecane]-3-yldibenzofuran-1-amine?
The canonical SMILES for N-spiro[cyclopentane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,12'-tricyclo[4.4.1.13,9]dodecane]-3-yldibenzofuran-1-amine is c1ccc2c(c1)-c1ccc(N(c3ccc4c(c3)-c3ccccc3C43C4CCC5CCC3CC(C5)C4)c3cccc4oc5ccccc5c34)cc1C21CCCC1.
What is the InChIKey of N-spiro[cyclopentane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,12'-tricyclo[4.4.1.13,9]dodecane]-3-yldibenzofuran-1-amine?
The InChIKey is OWOXKHLQRRQNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H47NO/c1-4-13-44-39(10-1)41-24-22-38(32-47(41)52(44)26-7-8-27-52)54(48-15-9-17-50-51(48)42-12-3-6-16-49(42)55-50)37-23-25-46-43(31-37)40-11-2-5-14-45(40)53(46)35-20-18-33-19-21-36(53)30-34(28-33)29-35/h1-6,9-17,22-25,31-36H,7-8,18-21,26-30H2.
What are the key properties of N-spiro[cyclopentane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,12'-tricyclo[4.4.1.13,9]dodecane]-3-yldibenzofuran-1-amine?
N-spiro[cyclopentane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,12'-tricyclo[4.4.1.13,9]dodecane]-3-yldibenzofuran-1-amine has a molecular weight of 713.97 g/mol, XLogP of 14.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[cyclopentane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,12'-tricyclo[4.4.1.13,9]dodecane]-3-yldibenzofuran-1-amine is sourced from PubChem (CID 168722338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).