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

C55H47N — CID 156567971

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)cccc21
InChIInChI=1S/C55H47N/c1-54(2)47-18-9-7-17-45(47)53-50(54)20-12-22-52(53)56(42-26-23-38(24-27-42)37-13-4-3-5-14-37)51-21-11-8-15-43(51)39-25-28-49-46(34-39)44-16-6-10-19-48(44)55(49)40-30-35-29-36(32-40)33-41(55)31-35/h3-28,34-36,40-41H,29-33H2,1-2H3
InChIKeyYDVUVRCSWZOHIR-UHFFFAOYSA-N
MW721.99 g/mol
LogP14.52
Rot. Bonds5

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

9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine (PubChem CID 156567971) 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-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine
PubChem CID156567971
Molecular FormulaC55H47N
Molecular Weight721.99 g/mol
Exact Mass721.37
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)cccc21
InChIInChI=1S/C55H47N/c1-54(2)47-18-9-7-17-45(47)53-50(54)20-12-22-52(53)56(42-26-23-38(24-27-42)37-13-4-3-5-14-37)51-21-11-8-15-43(51)39-25-28-49-46(34-39)44-16-6-10-19-48(44)55(49)40-30-35-29-36(32-40)33-41(55)31-35/h3-28,34-36,40-41H,29-33H2,1-2H3
InChIKeyYDVUVRCSWZOHIR-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

9,9-dimethyl-N-(4-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)fluoren-1-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)fluoren-4-amine;N-(4-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)dibenzofuran-4-amine
CID 158808196
N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 176595545
9,9-dimethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-4-amine
CID 176595342
9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
CID 156567598
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]fluoren-2-amine
CID 155399652
9,9-dimethyl-2,7-diphenyl-N-[3-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 167413773
9,9-dimethyl-N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine;N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 159494511
6-N-(9,9-dimethylfluoren-2-yl)-1-N,6-N-diphenyl-1-N-spiro[adamantane-2,9'-fluorene]-4'-ylpyrene-1,6-diamine
CID 156533302
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(8-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine
CID 161011952
N-(3-fluorophenyl)-9,9-dimethyl-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
CID 168734127
N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085165
N-(4-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 176595500

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine (CID 156567971) is 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)cccc21.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine?
The InChIKey is YDVUVRCSWZOHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H47N/c1-54(2)47-18-9-7-17-45(47)53-50(54)20-12-22-52(53)56(42-26-23-38(24-27-42)37-13-4-3-5-14-37)51-21-11-8-15-43(51)39-25-28-49-46(34-39)44-16-6-10-19-48(44)55(49)40-30-35-29-36(32-40)33-41(55)31-35/h3-28,34-36,40-41H,29-33H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine?
9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-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-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine is sourced from PubChem (CID 156567971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).