N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine

C55H47N — CID 170085165

IUPACN-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3c(-c5ccccc5)cccc3C43C4CC5CC(C4)CC3C5)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C55H47N/c1-54(2)48-21-11-9-19-45(48)46-26-24-42(34-51(46)54)56(52-23-12-10-18-43(52)37-14-5-3-6-15-37)41-25-27-49-47(33-41)53-44(38-16-7-4-8-17-38)20-13-22-50(53)55(49)39-29-35-28-36(31-39)32-40(55)30-35/h3-27,33-36,39-40H,28-32H2,1-2H3
InChIKeyXVYXISYSFOGJRD-UHFFFAOYSA-N
MW721.99 g/mol
LogP14.52
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine

N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine (PubChem CID 170085165) has the molecular formula C55H47N and a molecular weight of 721.99 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
PubChem CID170085165
Molecular FormulaC55H47N
Molecular Weight721.99 g/mol
Exact Mass721.37
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3c(-c5ccccc5)cccc3C43C4CC5CC(C4)CC3C5)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C55H47N/c1-54(2)48-21-11-9-19-45(48)46-26-24-42(34-51(46)54)56(52-23-12-10-18-43(52)37-14-5-3-6-15-37)41-25-27-49-47(33-41)53-44(38-16-7-4-8-17-38)20-13-22-50(53)55(49)39-29-35-28-36(31-39)32-40(55)30-35/h3-27,33-36,39-40H,28-32H2,1-2H3
InChIKeyXVYXISYSFOGJRD-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

Analyze N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-2-yl)-N-(5'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)dibenzothiophen-3-amine
CID 170085177
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170143589
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 176595609
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085916
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 171736050
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837
N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-2-ylphenyl)-5-phenylspiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-amine
CID 170085240
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)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine
CID 156567349
N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722342
9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
CID 156567598

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine (CID 170085165) is N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3c(-c5ccccc5)cccc3C43C4CC5CC(C4)CC3C5)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine?
The InChIKey is XVYXISYSFOGJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H47N/c1-54(2)48-21-11-9-19-45(48)46-26-24-42(34-51(46)54)56(52-23-12-10-18-43(52)37-14-5-3-6-15-37)41-25-27-49-47(33-41)53-44(38-16-7-4-8-17-38)20-13-22-50(53)55(49)39-29-35-28-36(31-39)32-40(55)30-35/h3-27,33-36,39-40H,28-32H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine?
N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-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 N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine is sourced from PubChem (CID 170085165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).