CID 59413459

C14H9BS — CID 59413459

IUPAC—
SMILES[B]c1ccc(-c2cc3ccccc3s2)cc1
InChIInChI=1S/C14H9BS/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9H
InChIKeyGAIVYYMJNKUCRS-UHFFFAOYSA-N
MW220.11 g/mol
LogP3.36
Rot. Bonds1

About CID 59413459

CID 59413459 (PubChem CID 59413459) has the molecular formula C14H9BS and a molecular weight of 220.11 g/mol.

Molecular Properties

Compound NameCID 59413459
PubChem CID59413459
Molecular FormulaC14H9BS
Molecular Weight220.11 g/mol
Exact Mass220.05
IUPAC Name—
SMILES[B]c1ccc(-c2cc3ccccc3s2)cc1
InChIInChI=1S/C14H9BS/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9H
InChIKeyGAIVYYMJNKUCRS-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 178024724
CID 178024724
2-[4-(1-benzothiophen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146183527
4-(1-benzothiophen-2-yl)-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline
CID 58636103
N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164744811
N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59720610
2-chrysen-2-yl-1-benzothiophene
CID 58362123
N-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline;N-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenylaniline;4-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 158392817
5-(1-benzothiophen-2-yl)-1H-indole
CID 53408080
2-(1-benzothiophen-2-yl)benzene-1,3-diamine
CID 102202625
2,6-bis(4-naphthalen-2-ylphenyl)thieno[2,3-f][1]benzothiole
CID 156519650
2-(2,6-dimethylphenyl)-1-benzothiophene
CID 641356
2-(1-benzothiophen-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146183055

Frequently Asked Questions

What is the IUPAC name of CID 59413459?
The IUPAC name of CID 59413459 (CID 59413459) is not available.
What is the SMILES notation for CID 59413459?
The canonical SMILES for CID 59413459 is [B]c1ccc(-c2cc3ccccc3s2)cc1.
What is the InChIKey of CID 59413459?
The InChIKey is GAIVYYMJNKUCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BS/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9H.
What are the key properties of CID 59413459?
CID 59413459 has a molecular weight of 220.11 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59413459 is sourced from PubChem (CID 59413459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).