N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-9,9'-spirobi[fluorene]-4-amine

C43H26F3N — CID 171749895

IUPACN-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESFc1ccc(N(c2cccc(-c3c(F)cccc3F)c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C43H26F3N/c44-28-22-24-29(25-23-28)47(30-11-7-10-27(26-30)41-38(45)19-9-20-39(41)46)40-21-8-18-37-42(40)33-14-3-6-17-36(33)43(37)34-15-4-1-12-31(34)32-13-2-5-16-35(32)43/h1-26H
InChIKeyPTMIYPXUZZLGKA-UHFFFAOYSA-N
MW613.68 g/mol
LogP11.58
Rot. Bonds4

About N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-9,9'-spirobi[fluorene]-4-amine

N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 171749895) has the molecular formula C43H26F3N and a molecular weight of 613.68 g/mol. Its IUPAC name is N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID171749895
Molecular FormulaC43H26F3N
Molecular Weight613.68 g/mol
Exact Mass613.20
IUPAC NameN-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESFc1ccc(N(c2cccc(-c3c(F)cccc3F)c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C43H26F3N/c44-28-22-24-29(25-23-28)47(30-11-7-10-27(26-30)41-38(45)19-9-20-39(41)46)40-21-8-18-37-42(40)33-14-3-6-17-36(33)43(37)34-15-4-1-12-31(34)32-13-2-5-16-35(32)43/h1-26H
InChIKeyPTMIYPXUZZLGKA-UHFFFAOYSA-N
XLogP11.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.68
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-9,9'-spirobi[fluorene]-4-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

2-N'-phenyl-4-N-(3-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915431
2-N'-phenyl-2-N'-(3-phenylphenyl)-4-N,4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915444
1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine
CID 146601554
N-(3,5-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129266510
4-N-phenyl-3-N'-(2-phenylphenyl)-4-N-(3-phenylphenyl)-3-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 167176826
N-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757
CID 118153763
CID 118153763
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267118
N-[4-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 158045243
CID 118153721
CID 118153721
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481112
N-(9,9'-spirobi[fluorene]-4-yl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477749

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-9,9'-spirobi[fluorene]-4-amine (CID 171749895) is N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-9,9'-spirobi[fluorene]-4-amine is Fc1ccc(N(c2cccc(-c3c(F)cccc3F)c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is PTMIYPXUZZLGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26F3N/c44-28-22-24-29(25-23-28)47(30-11-7-10-27(26-30)41-38(45)19-9-20-39(41)46)40-21-8-18-37-42(40)33-14-3-6-17-36(33)43(37)34-15-4-1-12-31(34)32-13-2-5-16-35(32)43/h1-26H.
What are the key properties of N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-9,9'-spirobi[fluorene]-4-amine?
N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 613.68 g/mol, XLogP of 11.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 171749895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).