[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)hydrazinyl]methanethiol

C28H26N2S — CID 177242761

IUPAC[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)hydrazinyl]methanethiol
SMILESCC1(C)c2ccccc2-c2ccc(N(NCS)c3cccc(-c4ccccc4)c3)cc21
InChIInChI=1S/C28H26N2S/c1-28(2)26-14-7-6-13-24(26)25-16-15-23(18-27(25)28)30(29-19-31)22-12-8-11-21(17-22)20-9-4-3-5-10-20/h3-18,29,31H,19H2,1-2H3
InChIKeyHWFVLNPNMMZZTR-UHFFFAOYSA-N
MW422.60 g/mol
LogP7.19
Rot. Bonds5

About [2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)hydrazinyl]methanethiol

[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)hydrazinyl]methanethiol (PubChem CID 177242761) has the molecular formula C28H26N2S and a molecular weight of 422.60 g/mol. Its IUPAC name is [2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)hydrazinyl]methanethiol.

Molecular Properties

Compound Name[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)hydrazinyl]methanethiol
PubChem CID177242761
Molecular FormulaC28H26N2S
Molecular Weight422.60 g/mol
Exact Mass422.18
IUPAC Name[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)hydrazinyl]methanethiol
SMILESCC1(C)c2ccccc2-c2ccc(N(NCS)c3cccc(-c4ccccc4)c3)cc21
InChIInChI=1S/C28H26N2S/c1-28(2)26-14-7-6-13-24(26)25-16-15-23(18-27(25)28)30(29-19-31)22-12-8-11-21(17-22)20-9-4-3-5-10-20/h3-18,29,31H,19H2,1-2H3
InChIKeyHWFVLNPNMMZZTR-UHFFFAOYSA-N
XLogP7.19
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.60
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,9,9-trimethyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 166028533
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 139384269
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine
CID 170139798
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
N-[3-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 177269838
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)benzo[g]phenanthren-3-amine
CID 167184258
N,9,9-trimethyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 166028580
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 159624987
N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59649074
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094

Frequently Asked Questions

What is the IUPAC name of [2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)hydrazinyl]methanethiol?
The IUPAC name of [2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)hydrazinyl]methanethiol (CID 177242761) is [2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)hydrazinyl]methanethiol.
What is the SMILES notation for [2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)hydrazinyl]methanethiol?
The canonical SMILES for [2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)hydrazinyl]methanethiol is CC1(C)c2ccccc2-c2ccc(N(NCS)c3cccc(-c4ccccc4)c3)cc21.
What is the InChIKey of [2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)hydrazinyl]methanethiol?
The InChIKey is HWFVLNPNMMZZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2S/c1-28(2)26-14-7-6-13-24(26)25-16-15-23(18-27(25)28)30(29-19-31)22-12-8-11-21(17-22)20-9-4-3-5-10-20/h3-18,29,31H,19H2,1-2H3.
What are the key properties of [2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)hydrazinyl]methanethiol?
[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)hydrazinyl]methanethiol has a molecular weight of 422.60 g/mol, XLogP of 7.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)hydrazinyl]methanethiol is sourced from PubChem (CID 177242761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).