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

C56H34F3NO — CID 130309128

IUPACN-[4-[4-(trifluoromethoxy)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
SMILESFC(F)(F)Oc1ccc(-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C56H34F3NO/c57-56(58,59)61-39-31-26-36(27-32-39)35-24-28-37(29-25-35)60(38-30-33-44-42-14-2-1-12-40(42)41-13-3-4-15-43(41)48(44)34-38)53-23-11-22-52-54(53)47-18-7-10-21-51(47)55(52)49-19-8-5-16-45(49)46-17-6-9-20-50(46)55/h1-34H
InChIKeyDONGMAXRZCOPGU-UHFFFAOYSA-N
MW793.89 g/mol
LogP15.53
Rot. Bonds5

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

N-[4-[4-(trifluoromethoxy)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine (PubChem CID 130309128) has the molecular formula C56H34F3NO and a molecular weight of 793.89 g/mol. Its IUPAC name is N-[4-[4-(trifluoromethoxy)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-[4-[4-(trifluoromethoxy)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
PubChem CID130309128
Molecular FormulaC56H34F3NO
Molecular Weight793.89 g/mol
Exact Mass793.26
IUPAC NameN-[4-[4-(trifluoromethoxy)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
SMILESFC(F)(F)Oc1ccc(-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C56H34F3NO/c57-56(58,59)61-39-31-26-36(27-32-39)35-24-28-37(29-25-35)60(38-30-33-44-42-14-2-1-12-40(42)41-13-3-4-15-43(41)48(44)34-38)53-23-11-22-52-54(53)47-18-7-10-21-51(47)55(52)49-19-8-5-16-45(49)46-17-6-9-20-50(46)55/h1-34H
InChIKeyDONGMAXRZCOPGU-UHFFFAOYSA-N
XLogP15.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.89
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3,5-diphenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308524
N-(3,5-dinaphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308534
CID 158813700
CID 158813700
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308860
N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308817
N-[2-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[3-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 158668118
4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine
CID 177130904
N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308420
N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-2-amine
CID 130263998
CID 118153763
CID 118153763
N-phenyl-N-(4-triphenylen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 161427467
N-(3,5-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129266510

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(trifluoromethoxy)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-[4-[4-(trifluoromethoxy)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine (CID 130309128) is N-[4-[4-(trifluoromethoxy)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-[4-[4-(trifluoromethoxy)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-[4-[4-(trifluoromethoxy)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine is FC(F)(F)Oc1ccc(-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of N-[4-[4-(trifluoromethoxy)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is DONGMAXRZCOPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34F3NO/c57-56(58,59)61-39-31-26-36(27-32-39)35-24-28-37(29-25-35)60(38-30-33-44-42-14-2-1-12-40(42)41-13-3-4-15-43(41)48(44)34-38)53-23-11-22-52-54(53)47-18-7-10-21-51(47)55(52)49-19-8-5-16-45(49)46-17-6-9-20-50(46)55/h1-34H.
What are the key properties of N-[4-[4-(trifluoromethoxy)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
N-[4-[4-(trifluoromethoxy)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 793.89 g/mol, XLogP of 15.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(trifluoromethoxy)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 130309128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).