3-[3-(3-ethenylphenyl)-1-adamantyl]-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine

C55H45N — CID 166049033

IUPAC3-[3-(3-ethenylphenyl)-1-adamantyl]-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine
SMILESC=Cc1cccc(C23CC4CC(C2)CC(c2ccc5c(c2)-c2ccccc2C52c5ccccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc52)(C4)C3)c1
InChIInChI=1S/C55H45N/c1-2-37-14-13-15-40(29-37)53-32-38-28-39(33-53)35-54(34-38,36-53)41-24-27-51-48(30-41)46-21-10-12-23-50(46)55(51)49-22-11-9-20-45(49)47-26-25-44(31-52(47)55)56(42-16-5-3-6-17-42)43-18-7-4-8-19-43/h2-27,29-31,38-39H,1,28,32-36H2
InChIKeyFXGCFJKZSHMNGA-UHFFFAOYSA-N
MW719.97 g/mol
LogP13.93
Rot. Bonds6

About 3-[3-(3-ethenylphenyl)-1-adamantyl]-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine

3-[3-(3-ethenylphenyl)-1-adamantyl]-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 166049033) has the molecular formula C55H45N and a molecular weight of 719.97 g/mol. Its IUPAC name is 3-[3-(3-ethenylphenyl)-1-adamantyl]-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound Name3-[3-(3-ethenylphenyl)-1-adamantyl]-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine
PubChem CID166049033
Molecular FormulaC55H45N
Molecular Weight719.97 g/mol
Exact Mass719.36
IUPAC Name3-[3-(3-ethenylphenyl)-1-adamantyl]-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine
SMILESC=Cc1cccc(C23CC4CC(C2)CC(c2ccc5c(c2)-c2ccccc2C52c5ccccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc52)(C4)C3)c1
InChIInChI=1S/C55H45N/c1-2-37-14-13-15-40(29-37)53-32-38-28-39(33-53)35-54(34-38,36-53)41-24-27-51-48(30-41)46-21-10-12-23-50(46)55(51)49-22-11-9-20-45(49)47-26-25-44(31-52(47)55)56(42-16-5-3-6-17-42)43-18-7-4-8-19-43/h2-27,29-31,38-39H,1,28,32-36H2
InChIKeyFXGCFJKZSHMNGA-UHFFFAOYSA-N
XLogP13.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.97
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(1-adamantyl)phenyl]-3,6-ditert-butyl-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9,9'-spirobi[fluorene]-2'-amine
CID 177067356
7'-(1-adamantyl)-N-(9,9-dimethylfluoren-3-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 169028750
N-[4-(1-adamantyl)phenyl]-9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine
CID 177067274
N-(9,9-dihexylfluoren-2-yl)-7-[3-(4-ethenylphenyl)-1-adamantyl]-9,9-dihexyl-N-(4-methylphenyl)fluoren-2-amine
CID 121422318
3-(1-adamantyl)-N-[4-[4-(N-[3-(1-adamantyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-(1-adamantyl)-N,N-bis[4-(1-adamantyl)phenyl]aniline;4-[4-(1-adamantyl)phenyl]-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline;2-[4-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-1-adamantyl]phenyl]-2-azatricyclo[3.3.1.13,7]decane;9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 159293011
9-[4-(4-ethenylphenyl)sulfanylphenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenyl)sulfanylphenyl]-9-phenylfluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 146516601
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 121423944
N,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine
CID 146361908
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 156556632
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193981
9,9-diphenyl-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-3-amine
CID 121464369

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-ethenylphenyl)-1-adamantyl]-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of 3-[3-(3-ethenylphenyl)-1-adamantyl]-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine (CID 166049033) is 3-[3-(3-ethenylphenyl)-1-adamantyl]-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for 3-[3-(3-ethenylphenyl)-1-adamantyl]-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for 3-[3-(3-ethenylphenyl)-1-adamantyl]-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine is C=Cc1cccc(C23CC4CC(C2)CC(c2ccc5c(c2)-c2ccccc2C52c5ccccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc52)(C4)C3)c1.
What is the InChIKey of 3-[3-(3-ethenylphenyl)-1-adamantyl]-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is FXGCFJKZSHMNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H45N/c1-2-37-14-13-15-40(29-37)53-32-38-28-39(33-53)35-54(34-38,36-53)41-24-27-51-48(30-41)46-21-10-12-23-50(46)55(51)49-22-11-9-20-45(49)47-26-25-44(31-52(47)55)56(42-16-5-3-6-17-42)43-18-7-4-8-19-43/h2-27,29-31,38-39H,1,28,32-36H2.
What are the key properties of 3-[3-(3-ethenylphenyl)-1-adamantyl]-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine?
3-[3-(3-ethenylphenyl)-1-adamantyl]-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 719.97 g/mol, XLogP of 13.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-ethenylphenyl)-1-adamantyl]-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 166049033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).