N,N-bis[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine

C39H23F6N — CID 171749815

IUPACN,N-bis[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
SMILESFC(F)(F)c1ccc(N(c2ccc(C(F)(F)F)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C39H23F6N/c40-38(41,42)24-16-20-26(21-17-24)46(27-22-18-25(19-23-27)39(43,44)45)35-15-7-14-34-36(35)30-10-3-6-13-33(30)37(34)31-11-4-1-8-28(31)29-9-2-5-12-32(29)37/h1-23H
InChIKeyJGVKQYDJDWTRKU-UHFFFAOYSA-N
MW619.61 g/mol
LogP11.54
Rot. Bonds3

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

N,N-bis[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine (PubChem CID 171749815) has the molecular formula C39H23F6N and a molecular weight of 619.61 g/mol. Its IUPAC name is N,N-bis[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN,N-bis[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
PubChem CID171749815
Molecular FormulaC39H23F6N
Molecular Weight619.61 g/mol
Exact Mass619.17
IUPAC NameN,N-bis[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
SMILESFC(F)(F)c1ccc(N(c2ccc(C(F)(F)F)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C39H23F6N/c40-38(41,42)24-16-20-26(21-17-24)46(27-22-18-25(19-23-27)39(43,44)45)35-15-7-14-34-36(35)30-10-3-6-13-33(30)37(34)31-11-4-1-8-28(31)29-9-2-5-12-32(29)37/h1-23H
InChIKeyJGVKQYDJDWTRKU-UHFFFAOYSA-N
XLogP11.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.61
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(4-tert-butylphenyl)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-amine
CID 121391781
N,N-bis[3-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 171749981
CID 118153763
CID 118153763
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-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757
CID 118153721
CID 118153721
N-(3,5-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129266510
N-phenyl-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-4-amine
CID 134568070
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166
2-N,7-N-diphenyl-2-N,7-N-bis[4-(trifluoromethyl)phenyl]spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine
CID 126712671
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 121464380
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481112

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N,N-bis[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine (CID 171749815) is N,N-bis[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N,N-bis[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N,N-bis[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine is FC(F)(F)c1ccc(N(c2ccc(C(F)(F)F)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N,N-bis[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is JGVKQYDJDWTRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23F6N/c40-38(41,42)24-16-20-26(21-17-24)46(27-22-18-25(19-23-27)39(43,44)45)35-15-7-14-34-36(35)30-10-3-6-13-33(30)37(34)31-11-4-1-8-28(31)29-9-2-5-12-32(29)37/h1-23H.
What are the key properties of N,N-bis[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
N,N-bis[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 619.61 g/mol, XLogP of 11.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 171749815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).