N-spiro[adamantane-2,9'-fluorene]-1'-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-3-amine

C52H45NO — CID 168722594

IUPACN-spiro[adamantane-2,9'-fluorene]-1'-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-3-amine
SMILESc1ccc2c(c1)-c1c(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cccc1C21CCCCC1
InChIInChI=1S/C52H45NO/c1-8-24-51(25-9-1)42-16-5-3-14-41(42)49-44(51)18-11-19-45(49)53(36-22-23-39-38-13-4-7-21-47(38)54-48(39)31-36)46-20-10-15-40-37-12-2-6-17-43(37)52(50(40)46)34-27-32-26-33(29-34)30-35(52)28-32/h2-7,10-23,31-35H,1,8-9,24-30H2
InChIKeyDVXHYLQACAAMFF-UHFFFAOYSA-N
MW699.94 g/mol
LogP14.01
Rot. Bonds3

About N-spiro[adamantane-2,9'-fluorene]-1'-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-3-amine

N-spiro[adamantane-2,9'-fluorene]-1'-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-3-amine (PubChem CID 168722594) has the molecular formula C52H45NO and a molecular weight of 699.94 g/mol. Its IUPAC name is N-spiro[adamantane-2,9'-fluorene]-1'-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-spiro[adamantane-2,9'-fluorene]-1'-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-3-amine
PubChem CID168722594
Molecular FormulaC52H45NO
Molecular Weight699.94 g/mol
Exact Mass699.35
IUPAC NameN-spiro[adamantane-2,9'-fluorene]-1'-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-3-amine
SMILESc1ccc2c(c1)-c1c(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cccc1C21CCCCC1
InChIInChI=1S/C52H45NO/c1-8-24-51(25-9-1)42-16-5-3-14-41(42)49-44(51)18-11-19-45(49)53(36-22-23-39-38-13-4-7-21-47(38)54-48(39)31-36)46-20-10-15-40-37-12-2-6-17-43(37)52(50(40)46)34-27-32-26-33(29-34)30-35(52)28-32/h2-7,10-23,31-35H,1,8-9,24-30H2
InChIKeyDVXHYLQACAAMFF-UHFFFAOYSA-N
XLogP14.01
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.94
LogP ≤ 514.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine
CID 168722758
N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-3-amine
CID 163870746
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-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-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722415
N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722293
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-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168723059
N,N-bis(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzothiophen-3-amine
CID 159080840
N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-3-amine
CID 170119125
N-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)dibenzofuran-1-amine
CID 176594821

Frequently Asked Questions

What is the IUPAC name of N-spiro[adamantane-2,9'-fluorene]-1'-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-3-amine?
The IUPAC name of N-spiro[adamantane-2,9'-fluorene]-1'-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-3-amine (CID 168722594) is N-spiro[adamantane-2,9'-fluorene]-1'-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-3-amine.
What is the SMILES notation for N-spiro[adamantane-2,9'-fluorene]-1'-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-3-amine?
The canonical SMILES for N-spiro[adamantane-2,9'-fluorene]-1'-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-3-amine is c1ccc2c(c1)-c1c(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cccc1C21CCCCC1.
What is the InChIKey of N-spiro[adamantane-2,9'-fluorene]-1'-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-3-amine?
The InChIKey is DVXHYLQACAAMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H45NO/c1-8-24-51(25-9-1)42-16-5-3-14-41(42)49-44(51)18-11-19-45(49)53(36-22-23-39-38-13-4-7-21-47(38)54-48(39)31-36)46-20-10-15-40-37-12-2-6-17-43(37)52(50(40)46)34-27-32-26-33(29-34)30-35(52)28-32/h2-7,10-23,31-35H,1,8-9,24-30H2.
What are the key properties of N-spiro[adamantane-2,9'-fluorene]-1'-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-3-amine?
N-spiro[adamantane-2,9'-fluorene]-1'-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-3-amine has a molecular weight of 699.94 g/mol, XLogP of 14.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[adamantane-2,9'-fluorene]-1'-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-3-amine is sourced from PubChem (CID 168722594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).