9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine

C55H47N — CID 156567598

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c3)cc21
InChIInChI=1S/C55H47N/c1-54(2)50-17-8-6-15-46(50)48-25-24-45(34-53(48)54)56(43-22-19-38(20-23-43)37-11-4-3-5-12-37)44-14-10-13-39(32-44)40-21-26-52-49(33-40)47-16-7-9-18-51(47)55(52)41-28-35-27-36(30-41)31-42(55)29-35/h3-26,32-36,41-42H,27-31H2,1-2H3
InChIKeyLCGYGBMBRIJLNW-UHFFFAOYSA-N
MW721.99 g/mol
LogP14.52
Rot. Bonds5

About 9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine (PubChem CID 156567598) has the molecular formula C55H47N and a molecular weight of 721.99 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
PubChem CID156567598
Molecular FormulaC55H47N
Molecular Weight721.99 g/mol
Exact Mass721.37
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c3)cc21
InChIInChI=1S/C55H47N/c1-54(2)50-17-8-6-15-46(50)48-25-24-45(34-53(48)54)56(43-22-19-38(20-23-43)37-11-4-3-5-12-37)44-14-10-13-39(32-44)40-21-26-52-49(33-40)47-16-7-9-18-51(47)55(52)41-28-35-27-36(30-41)31-42(55)29-35/h3-26,32-36,41-42H,27-31H2,1-2H3
InChIKeyLCGYGBMBRIJLNW-UHFFFAOYSA-N
XLogP14.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.99
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085916
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 155393680
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine
CID 156568019
N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine
CID 162212897
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine
CID 168744555
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 171736050
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567704
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393636
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]fluoren-2-amine
CID 155399652
N-(9,9-dimethylfluoren-3-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine;N-(3-naphthalen-1-ylphenyl)-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine;N-(4-phenanthren-2-ylphenyl)-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 157226955

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine (CID 156567598) is 9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c3)cc21.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine?
The InChIKey is LCGYGBMBRIJLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H47N/c1-54(2)50-17-8-6-15-46(50)48-25-24-45(34-53(48)54)56(43-22-19-38(20-23-43)37-11-4-3-5-12-37)44-14-10-13-39(32-44)40-21-26-52-49(33-40)47-16-7-9-18-51(47)55(52)41-28-35-27-36(30-41)31-42(55)29-35/h3-26,32-36,41-42H,27-31H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine?
9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine has a molecular weight of 721.99 g/mol, XLogP of 14.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 156567598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).