N-(4-dibenzofuran-4-ylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-1'-amine

C59H49NO — CID 168722436

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-1'-amine
SMILESc1ccc2c(c1)-c1cc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)ccc1C21CC2CCC1C2
InChIInChI=1S/C59H49NO/c1-4-15-51-46(10-1)50-33-43(25-26-52(50)58(51)34-35-19-22-39(58)28-35)60(42-23-20-38(21-24-42)44-12-7-14-49-47-11-3-6-18-55(47)61-57(44)49)54-17-8-13-48-45-9-2-5-16-53(45)59(56(48)54)40-29-36-27-37(31-40)32-41(59)30-36/h1-18,20-21,23-26,33,35-37,39-41H,19,22,27-32,34H2
InChIKeySMLFXCKKWMFRRB-UHFFFAOYSA-N
MW788.05 g/mol
LogP15.53
Rot. Bonds4

About N-(4-dibenzofuran-4-ylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-1'-amine

N-(4-dibenzofuran-4-ylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-1'-amine (PubChem CID 168722436) has the molecular formula C59H49NO and a molecular weight of 788.05 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-1'-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-1'-amine
PubChem CID168722436
Molecular FormulaC59H49NO
Molecular Weight788.05 g/mol
Exact Mass787.38
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-1'-amine
SMILESc1ccc2c(c1)-c1cc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)ccc1C21CC2CCC1C2
InChIInChI=1S/C59H49NO/c1-4-15-51-46(10-1)50-33-43(25-26-52(50)58(51)34-35-19-22-39(58)28-35)60(42-23-20-38(21-24-42)44-12-7-14-49-47-11-3-6-18-55(47)61-57(44)49)54-17-8-13-48-45-9-2-5-16-53(45)59(56(48)54)40-29-36-27-37(31-40)32-41(59)30-36/h1-18,20-21,23-26,33,35-37,39-41H,19,22,27-32,34H2
InChIKeySMLFXCKKWMFRRB-UHFFFAOYSA-N
XLogP15.53
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.05
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-dibenzofuran-4-ylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-1'-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170113458
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573656
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573768
(3S)-N-(4-dibenzofuran-4-ylphenyl)-3-ethyl-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-1'-amine
CID 174061929
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-(9,9-dimethylfluoren-1-yl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722400
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-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 170215940
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-(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-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine
CID 156573602
N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine
CID 163638025

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-1'-amine?
The IUPAC name of 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) is N-(4-dibenzofuran-4-ylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-1'-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-1'-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-1'-amine is c1ccc2c(c1)-c1cc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)ccc1C21CC2CCC1C2.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-1'-amine?
The InChIKey is SMLFXCKKWMFRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H49NO/c1-4-15-51-46(10-1)50-33-43(25-26-52(50)58(51)34-35-19-22-39(58)28-35)60(42-23-20-38(21-24-42)44-12-7-14-49-47-11-3-6-18-55(47)61-57(44)49)54-17-8-13-48-45-9-2-5-16-53(45)59(56(48)54)40-29-36-27-37(31-40)32-41(59)30-36/h1-18,20-21,23-26,33,35-37,39-41H,19,22,27-32,34H2.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-1'-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-1'-amine has a molecular weight of 788.05 g/mol, XLogP of 15.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-1'-amine is sourced from PubChem (CID 168722436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).