CID 163661867

C14H13Al2NS — CID 163661867

IUPAC—
SMILESC[Al]N([Al]C)c1cccc2c1sc1ccccc12
InChIInChI=1S/C12H7NS.2CH3.2Al/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10;;;;/h1-7H;2*1H3;;
InChIKeyDYUCAJHQCZUVKG-UHFFFAOYSA-N
MW281.30 g/mol
LogP4.20
Rot. Bonds3

About CID 163661867

CID 163661867 (PubChem CID 163661867) has the molecular formula C14H13Al2NS and a molecular weight of 281.30 g/mol.

Molecular Properties

Compound NameCID 163661867
PubChem CID163661867
Molecular FormulaC14H13Al2NS
Molecular Weight281.30 g/mol
Exact Mass281.04
IUPAC Name—
SMILESC[Al]N([Al]C)c1cccc2c1sc1ccccc12
InChIInChI=1S/C12H7NS.2CH3.2Al/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10;;;;/h1-7H;2*1H3;;
InChIKeyDYUCAJHQCZUVKG-UHFFFAOYSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(4-methylphenyl)dibenzothiophen-4-amine
CID 138652425
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
N-[4-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405
9-N,10-N-di(dibenzothiophen-4-yl)-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine
CID 58461923
N-iodo-N-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-amine
CID 146857713
3,26-dithiaheptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tridecaene
CID 149009096
N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzothiophen-4-amine
CID 168810720
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
N-dibenzothiophen-4-yl-N-(4-pyridin-4-ylphenyl)dibenzothiophen-4-amine
CID 169061493
N-(3-chlorophenyl)-N-phenyldibenzothiophen-4-amine
CID 134198312
N-[2-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 139322283
bis(dibenzothiophene);ethane
CID 143921746

Frequently Asked Questions

What is the IUPAC name of CID 163661867?
The IUPAC name of CID 163661867 (CID 163661867) is not available.
What is the SMILES notation for CID 163661867?
The canonical SMILES for CID 163661867 is C[Al]N([Al]C)c1cccc2c1sc1ccccc12.
What is the InChIKey of CID 163661867?
The InChIKey is DYUCAJHQCZUVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NS.2CH3.2Al/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10;;;;/h1-7H;2*1H3;;.
What are the key properties of CID 163661867?
CID 163661867 has a molecular weight of 281.30 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163661867 is sourced from PubChem (CID 163661867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).