2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-3-yl)-N-(3-fluorophenyl)-N-phenylaniline

C48H38FN — CID 166987841

IUPAC2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-3-yl)-N-(3-fluorophenyl)-N-phenylaniline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccccc4)c4cccc(F)c4)c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)ccc21
InChIInChI=1S/C48H38FN/c1-47(2)43-20-11-9-18-38(43)41-28-31(22-25-44(41)47)32-23-26-46(50(35-14-6-5-7-15-35)36-16-12-13-34(49)30-36)40(27-32)33-21-24-39-37-17-8-10-19-42(37)48(3,4)45(39)29-33/h5-30H,1-4H3
InChIKeyBBRYHNYXIZSNOS-UHFFFAOYSA-N
MW647.84 g/mol
LogP13.24
Rot. Bonds5

About 2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-3-yl)-N-(3-fluorophenyl)-N-phenylaniline

2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-3-yl)-N-(3-fluorophenyl)-N-phenylaniline (PubChem CID 166987841) has the molecular formula C48H38FN and a molecular weight of 647.84 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-3-yl)-N-(3-fluorophenyl)-N-phenylaniline.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-3-yl)-N-(3-fluorophenyl)-N-phenylaniline
PubChem CID166987841
Molecular FormulaC48H38FN
Molecular Weight647.84 g/mol
Exact Mass647.30
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-3-yl)-N-(3-fluorophenyl)-N-phenylaniline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccccc4)c4cccc(F)c4)c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)ccc21
InChIInChI=1S/C48H38FN/c1-47(2)43-20-11-9-18-38(43)41-28-31(22-25-44(41)47)32-23-26-46(50(35-14-6-5-7-15-35)36-16-12-13-34(49)30-36)40(27-32)33-21-24-39-37-17-8-10-19-42(37)48(3,4)45(39)29-33/h5-30H,1-4H3
InChIKeyBBRYHNYXIZSNOS-UHFFFAOYSA-N
XLogP13.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.84
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-3-yl)-N-(3-fluorophenyl)-N-phenylaniline 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

N-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168801663
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221094
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
N-(3-fluorophenyl)-9,9-dimethyl-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
CID 168734127
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 154972869
N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59649074
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]fluoren-2-amine;N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 158711981
N-phenyl-4-(4-phenylphenyl)-N-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]aniline
CID 138462004
N-[2-(9,9-dimethylfluoren-3-yl)-3-phenylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293184
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-3-yl)-N-(3-fluorophenyl)-N-phenylaniline?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-3-yl)-N-(3-fluorophenyl)-N-phenylaniline (CID 166987841) is 2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-3-yl)-N-(3-fluorophenyl)-N-phenylaniline.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-3-yl)-N-(3-fluorophenyl)-N-phenylaniline?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-3-yl)-N-(3-fluorophenyl)-N-phenylaniline is CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccccc4)c4cccc(F)c4)c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)ccc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-3-yl)-N-(3-fluorophenyl)-N-phenylaniline?
The InChIKey is BBRYHNYXIZSNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38FN/c1-47(2)43-20-11-9-18-38(43)41-28-31(22-25-44(41)47)32-23-26-46(50(35-14-6-5-7-15-35)36-16-12-13-34(49)30-36)40(27-32)33-21-24-39-37-17-8-10-19-42(37)48(3,4)45(39)29-33/h5-30H,1-4H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-3-yl)-N-(3-fluorophenyl)-N-phenylaniline?
2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-3-yl)-N-(3-fluorophenyl)-N-phenylaniline has a molecular weight of 647.84 g/mol, XLogP of 13.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-3-yl)-N-(3-fluorophenyl)-N-phenylaniline is sourced from PubChem (CID 166987841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).