N-(4-dibenzofuran-4-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

C50H30F3NO — CID 118298418

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESFC(F)(F)c1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C50H30F3NO/c51-50(52,53)32-22-26-34(27-23-32)54(33-24-20-31(21-25-33)36-14-9-15-42-41-13-4-8-19-47(41)55-48(36)42)35-28-29-40-39-12-3-7-18-45(39)49(46(40)30-35)43-16-5-1-10-37(43)38-11-2-6-17-44(38)49/h1-30H
InChIKeyLSZMFARIRCRTTM-UHFFFAOYSA-N
MW717.79 g/mol
LogP14.09
Rot. Bonds4

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 118298418) has the molecular formula C50H30F3NO and a molecular weight of 717.79 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID118298418
Molecular FormulaC50H30F3NO
Molecular Weight717.79 g/mol
Exact Mass717.23
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESFC(F)(F)c1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C50H30F3NO/c51-50(52,53)32-22-26-34(27-23-32)54(33-24-20-31(21-25-33)36-14-9-15-42-41-13-4-8-19-47(41)55-48(36)42)35-28-29-40-39-12-3-7-18-45(39)49(46(40)30-35)43-16-5-1-10-37(43)38-11-2-6-17-44(38)49/h1-30H
InChIKeyLSZMFARIRCRTTM-UHFFFAOYSA-N
XLogP14.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.79
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475955
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 137392478
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 118298489
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine
CID 144724087
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-2-amine
CID 129087109
N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421380
N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167484367
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 121383308
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168805215
(Z)-but-2-ene;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 145242811
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 118298039
2',7'-ditert-butyl-N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-4'-amine
CID 170535488

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 118298418) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is FC(F)(F)c1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is LSZMFARIRCRTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30F3NO/c51-50(52,53)32-22-26-34(27-23-32)54(33-24-20-31(21-25-33)36-14-9-15-42-41-13-4-8-19-47(41)55-48(36)42)35-28-29-40-39-12-3-7-18-45(39)49(46(40)30-35)43-16-5-1-10-37(43)38-11-2-6-17-44(38)49/h1-30H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 717.79 g/mol, XLogP of 14.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 118298418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).