N-(9,9'-spirobi[fluorene]-1-yl)-N-sulfidothiohydroxylamine

C25H16NS2- — CID 156896748

IUPACN-(9,9'-spirobi[fluorene]-1-yl)-N-sulfidothiohydroxylamine
SMILES[S-]N(S)c1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C25H16NS2/c27-26(28)23-15-7-11-19-18-10-3-6-14-22(18)25(24(19)23)20-12-4-1-8-16(20)17-9-2-5-13-21(17)25/h1-15,27H/q-1
InChIKeyXJDVRXZLJMCFLQ-UHFFFAOYSA-N
MW394.54 g/mol
LogP6.14
Rot. Bonds1

About N-(9,9'-spirobi[fluorene]-1-yl)-N-sulfidothiohydroxylamine

N-(9,9'-spirobi[fluorene]-1-yl)-N-sulfidothiohydroxylamine (PubChem CID 156896748) has the molecular formula C25H16NS2- and a molecular weight of 394.54 g/mol. Its IUPAC name is N-(9,9'-spirobi[fluorene]-1-yl)-N-sulfidothiohydroxylamine.

Molecular Properties

Compound NameN-(9,9'-spirobi[fluorene]-1-yl)-N-sulfidothiohydroxylamine
PubChem CID156896748
Molecular FormulaC25H16NS2-
Molecular Weight394.54 g/mol
Exact Mass394.07
IUPAC NameN-(9,9'-spirobi[fluorene]-1-yl)-N-sulfidothiohydroxylamine
SMILES[S-]N(S)c1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C25H16NS2/c27-26(28)23-15-7-11-19-18-10-3-6-14-22(18)25(24(19)23)20-12-4-1-8-16(20)17-9-2-5-13-21(17)25/h1-15,27H/q-1
InChIKeyXJDVRXZLJMCFLQ-UHFFFAOYSA-N
XLogP6.14
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-9,9'-spirobi[fluorene]-1-amine;ethane
CID 159657199
N,N-dibenzyl-9,9'-spirobi[fluorene]-1-amine
CID 141429457
N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 154409809
1-(2-chlorophenyl)-9,9'-spirobi[fluorene]
CID 130380139
N-(9,9'-spirobi[fluorene]-2-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-1-amine
CID 130309037
CID 102532137
CID 102532137
9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277808
N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308420
N-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-1-amine
CID 138477632
2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 146541622
N-[4-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 155005492
2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]
CID 141243906

Frequently Asked Questions

What is the IUPAC name of N-(9,9'-spirobi[fluorene]-1-yl)-N-sulfidothiohydroxylamine?
The IUPAC name of N-(9,9'-spirobi[fluorene]-1-yl)-N-sulfidothiohydroxylamine (CID 156896748) is N-(9,9'-spirobi[fluorene]-1-yl)-N-sulfidothiohydroxylamine.
What is the SMILES notation for N-(9,9'-spirobi[fluorene]-1-yl)-N-sulfidothiohydroxylamine?
The canonical SMILES for N-(9,9'-spirobi[fluorene]-1-yl)-N-sulfidothiohydroxylamine is [S-]N(S)c1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of N-(9,9'-spirobi[fluorene]-1-yl)-N-sulfidothiohydroxylamine?
The InChIKey is XJDVRXZLJMCFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16NS2/c27-26(28)23-15-7-11-19-18-10-3-6-14-22(18)25(24(19)23)20-12-4-1-8-16(20)17-9-2-5-13-21(17)25/h1-15,27H/q-1.
What are the key properties of N-(9,9'-spirobi[fluorene]-1-yl)-N-sulfidothiohydroxylamine?
N-(9,9'-spirobi[fluorene]-1-yl)-N-sulfidothiohydroxylamine has a molecular weight of 394.54 g/mol, XLogP of 6.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9'-spirobi[fluorene]-1-yl)-N-sulfidothiohydroxylamine is sourced from PubChem (CID 156896748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).