[(2-naphthalen-1-ylfluoren-1-ylidene)amino] trifluoromethanesulfonate

C24H14F3NO3S — CID 150577680

IUPAC[(2-naphthalen-1-ylfluoren-1-ylidene)amino] trifluoromethanesulfonate
SMILESO=S(=O)(ON=C1C2=Cc3ccccc3C2=CC=C1c1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C24H14F3NO3S/c25-24(26,27)32(29,30)31-28-23-21(19-11-5-8-15-6-1-3-9-17(15)19)13-12-20-18-10-4-2-7-16(18)14-22(20)23/h1-14H
InChIKeyINDVFDMQQYXLLM-UHFFFAOYSA-N
MW453.44 g/mol
LogP5.94
Rot. Bonds3

About [(2-naphthalen-1-ylfluoren-1-ylidene)amino] trifluoromethanesulfonate

[(2-naphthalen-1-ylfluoren-1-ylidene)amino] trifluoromethanesulfonate (PubChem CID 150577680) has the molecular formula C24H14F3NO3S and a molecular weight of 453.44 g/mol. Its IUPAC name is [(2-naphthalen-1-ylfluoren-1-ylidene)amino] trifluoromethanesulfonate.

Molecular Properties

Compound Name[(2-naphthalen-1-ylfluoren-1-ylidene)amino] trifluoromethanesulfonate
PubChem CID150577680
Molecular FormulaC24H14F3NO3S
Molecular Weight453.44 g/mol
Exact Mass453.06
IUPAC Name[(2-naphthalen-1-ylfluoren-1-ylidene)amino] trifluoromethanesulfonate
SMILESO=S(=O)(ON=C1C2=Cc3ccccc3C2=CC=C1c1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C24H14F3NO3S/c25-24(26,27)32(29,30)31-28-23-21(19-11-5-8-15-6-1-3-9-17(15)19)13-12-20-18-10-4-2-7-16(18)14-22(20)23/h1-14H
InChIKeyINDVFDMQQYXLLM-UHFFFAOYSA-N
XLogP5.94
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.44
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

[(Z)-benzo[e][1]benzothiol-1-ylideneamino] trifluoromethanesulfonate
CID 87945255
(2E,10Z)-2-naphthalen-1-yltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 57404142
[(E)-benzo[e][1]benzofuran-1-ylideneamino] trifluoromethanesulfonate
CID 172959972
3-(4-naphthalen-1-ylphenyl)naphthalen-1-ol;[3-(4-naphthalen-1-ylphenyl)naphthalen-1-yl] trifluoromethanesulfonate
CID 158449640
2-(2-chloroethoxy)fluoren-1-one
CID 151398421
6-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 57264247
4-naphthalen-1-ylbenzoic acid
CID 2760151
N-(fluoren-1-ylideneamino)naphthalen-1-amine
CID 173189960
(1-pyren-1-ylnaphthalen-2-yl) trifluoromethanesulfonate
CID 132538037
(naphthalene-1-carbonylamino) trifluoromethanesulfonate
CID 87389546
azane;1-naphthalen-1-ylethyl trifluoromethanesulfonate
CID 174992561
1-phenylacenaphthylene
CID 13119282

Frequently Asked Questions

What is the IUPAC name of [(2-naphthalen-1-ylfluoren-1-ylidene)amino] trifluoromethanesulfonate?
The IUPAC name of [(2-naphthalen-1-ylfluoren-1-ylidene)amino] trifluoromethanesulfonate (CID 150577680) is [(2-naphthalen-1-ylfluoren-1-ylidene)amino] trifluoromethanesulfonate.
What is the SMILES notation for [(2-naphthalen-1-ylfluoren-1-ylidene)amino] trifluoromethanesulfonate?
The canonical SMILES for [(2-naphthalen-1-ylfluoren-1-ylidene)amino] trifluoromethanesulfonate is O=S(=O)(ON=C1C2=Cc3ccccc3C2=CC=C1c1cccc2ccccc12)C(F)(F)F.
What is the InChIKey of [(2-naphthalen-1-ylfluoren-1-ylidene)amino] trifluoromethanesulfonate?
The InChIKey is INDVFDMQQYXLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F3NO3S/c25-24(26,27)32(29,30)31-28-23-21(19-11-5-8-15-6-1-3-9-17(15)19)13-12-20-18-10-4-2-7-16(18)14-22(20)23/h1-14H.
What are the key properties of [(2-naphthalen-1-ylfluoren-1-ylidene)amino] trifluoromethanesulfonate?
[(2-naphthalen-1-ylfluoren-1-ylidene)amino] trifluoromethanesulfonate has a molecular weight of 453.44 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-naphthalen-1-ylfluoren-1-ylidene)amino] trifluoromethanesulfonate is sourced from PubChem (CID 150577680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).