2-[(9-phenyl-9-pyridin-2-ylfluoren-2-yl)methylsulfanyl]aniline

C31H24N2S — CID 145384387

IUPAC2-[(9-phenyl-9-pyridin-2-ylfluoren-2-yl)methylsulfanyl]aniline
SMILESNc1ccccc1SCc1ccc2c(c1)C(c1ccccc1)(c1ccccn1)c1ccccc1-2
InChIInChI=1S/C31H24N2S/c32-28-14-6-7-15-29(28)34-21-22-17-18-25-24-12-4-5-13-26(24)31(27(25)20-22,23-10-2-1-3-11-23)30-16-8-9-19-33-30/h1-20H,21,32H2
InChIKeyPAFRKGCGVPEASB-UHFFFAOYSA-N
MW456.61 g/mol
LogP7.32
Rot. Bonds5

About 2-[(9-phenyl-9-pyridin-2-ylfluoren-2-yl)methylsulfanyl]aniline

2-[(9-phenyl-9-pyridin-2-ylfluoren-2-yl)methylsulfanyl]aniline (PubChem CID 145384387) has the molecular formula C31H24N2S and a molecular weight of 456.61 g/mol. Its IUPAC name is 2-[(9-phenyl-9-pyridin-2-ylfluoren-2-yl)methylsulfanyl]aniline.

Molecular Properties

Compound Name2-[(9-phenyl-9-pyridin-2-ylfluoren-2-yl)methylsulfanyl]aniline
PubChem CID145384387
Molecular FormulaC31H24N2S
Molecular Weight456.61 g/mol
Exact Mass456.17
IUPAC Name2-[(9-phenyl-9-pyridin-2-ylfluoren-2-yl)methylsulfanyl]aniline
SMILESNc1ccccc1SCc1ccc2c(c1)C(c1ccccc1)(c1ccccn1)c1ccccc1-2
InChIInChI=1S/C31H24N2S/c32-28-14-6-7-15-29(28)34-21-22-17-18-25-24-12-4-5-13-26(24)31(27(25)20-22,23-10-2-1-3-11-23)30-16-8-9-19-33-30/h1-20H,21,32H2
InChIKeyPAFRKGCGVPEASB-UHFFFAOYSA-N
XLogP7.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.61
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylfluoren-9-yl]pyridine
CID 135173134
2-[9-phenyl-3-(10-phenyl-10-pyridin-2-ylspiro[anthracene-9,9'-fluorene]-2-yl)oxyspiro[anthracene-10,9'-fluorene]-9-yl]pyridine
CID 140743379
11-phenyl-11-pyridin-2-yl-5H-indeno[1,2-b]carbazole
CID 135176930
2-[2-[9-phenyl-9-(10-phenylanthracen-9-yl)fluoren-2-yl]ethyl]aniline
CID 145384372
2,4-diphenyl-6-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)pyrimidine
CID 142384952
2-(9-phenylfluoren-9-yl)pyrazine
CID 177449195
4-(9-phenylfluoren-9-yl)pyrimidine
CID 174340696
2-(pyridin-4-ylmethylsulfanyl)aniline
CID 12618215
2-[9-[3-[9-[3-[9-(3,4-dimethyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine
CID 176592362
12-phenyl-12-pyridin-2-yl-5H-indeno[1,2-c]carbazole
CID 135176976
9,9-diphenylfluorene;N-[(9,9-diphenylfluoren-2-yl)methyl]-N-ethylethanamine;ethane
CID 157306926
9-(4-ethylphenyl)-9-phenylfluorene
CID 149284542

Frequently Asked Questions

What is the IUPAC name of 2-[(9-phenyl-9-pyridin-2-ylfluoren-2-yl)methylsulfanyl]aniline?
The IUPAC name of 2-[(9-phenyl-9-pyridin-2-ylfluoren-2-yl)methylsulfanyl]aniline (CID 145384387) is 2-[(9-phenyl-9-pyridin-2-ylfluoren-2-yl)methylsulfanyl]aniline.
What is the SMILES notation for 2-[(9-phenyl-9-pyridin-2-ylfluoren-2-yl)methylsulfanyl]aniline?
The canonical SMILES for 2-[(9-phenyl-9-pyridin-2-ylfluoren-2-yl)methylsulfanyl]aniline is Nc1ccccc1SCc1ccc2c(c1)C(c1ccccc1)(c1ccccn1)c1ccccc1-2.
What is the InChIKey of 2-[(9-phenyl-9-pyridin-2-ylfluoren-2-yl)methylsulfanyl]aniline?
The InChIKey is PAFRKGCGVPEASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2S/c32-28-14-6-7-15-29(28)34-21-22-17-18-25-24-12-4-5-13-26(24)31(27(25)20-22,23-10-2-1-3-11-23)30-16-8-9-19-33-30/h1-20H,21,32H2.
What are the key properties of 2-[(9-phenyl-9-pyridin-2-ylfluoren-2-yl)methylsulfanyl]aniline?
2-[(9-phenyl-9-pyridin-2-ylfluoren-2-yl)methylsulfanyl]aniline has a molecular weight of 456.61 g/mol, XLogP of 7.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-phenyl-9-pyridin-2-ylfluoren-2-yl)methylsulfanyl]aniline is sourced from PubChem (CID 145384387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).