N-(4-fluorophenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine

C49H30FN — CID 134568058

IUPACN-(4-fluorophenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
SMILESFc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cccc3c4ccccc4c4ccccc4c23)cc1
InChIInChI=1S/C49H30FN/c50-31-24-26-32(27-25-31)51(47-23-11-19-42-36-13-2-1-12-34(36)35-14-3-4-18-41(35)48(42)47)33-28-29-40-39-17-7-10-22-45(39)49(46(40)30-33)43-20-8-5-15-37(43)38-16-6-9-21-44(38)49/h1-30H
InChIKeyIRUBWJMIJLVKCW-UHFFFAOYSA-N
MW651.78 g/mol
LogP13.10
Rot. Bonds3

About N-(4-fluorophenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine

N-(4-fluorophenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 134568058) has the molecular formula C49H30FN and a molecular weight of 651.78 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
PubChem CID134568058
Molecular FormulaC49H30FN
Molecular Weight651.78 g/mol
Exact Mass651.24
IUPAC NameN-(4-fluorophenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
SMILESFc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cccc3c4ccccc4c4ccccc4c23)cc1
InChIInChI=1S/C49H30FN/c50-31-24-26-32(27-25-31)51(47-23-11-19-42-36-13-2-1-12-34(36)35-14-3-4-18-41(35)48(42)47)33-28-29-40-39-17-7-10-22-45(39)49(46(40)30-33)43-20-8-5-15-37(43)38-16-6-9-21-44(38)49/h1-30H
InChIKeyIRUBWJMIJLVKCW-UHFFFAOYSA-N
XLogP13.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.78
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(4-fluorophenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-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

N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309032
N-(4-ethylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 134568081
N-(9,9'-spirobi[fluorene]-2-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-1-amine
CID 130309037
N-(9,9'-spirobi[fluorene]-4-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309031
N-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309086
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309054
N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309110
N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138716831
N-phenyl-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-4-amine
CID 134568070
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 162139097
N-(4-trimethylsilylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(4-trimethylsilylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(4-trimethylsilylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 161396411

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(4-fluorophenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine (CID 134568058) is N-(4-fluorophenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine is Fc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cccc3c4ccccc4c4ccccc4c23)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is IRUBWJMIJLVKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30FN/c50-31-24-26-32(27-25-31)51(47-23-11-19-42-36-13-2-1-12-34(36)35-14-3-4-18-41(35)48(42)47)33-28-29-40-39-17-7-10-22-45(39)49(46(40)30-33)43-20-8-5-15-37(43)38-16-6-9-21-44(38)49/h1-30H.
What are the key properties of N-(4-fluorophenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine?
N-(4-fluorophenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 651.78 g/mol, XLogP of 13.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 134568058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).