10-phenylbenzo[b][1,4]benzothiabismine

C18H13BiS — CID 140603927

IUPAC10-phenylbenzo[b][1,4]benzothiabismine
SMILESc1ccc([Bi]2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C12H8S.C6H5.Bi/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-6-5-3-1;/h1-7,9H;1-5H;
InChIKeyFNSRUDWCDWFTAR-UHFFFAOYSA-N
MW470.35 g/mol
LogP2.67
Rot. Bonds1

About 10-phenylbenzo[b][1,4]benzothiabismine

10-phenylbenzo[b][1,4]benzothiabismine (PubChem CID 140603927) has the molecular formula C18H13BiS and a molecular weight of 470.35 g/mol. Its IUPAC name is 10-phenylbenzo[b][1,4]benzothiabismine.

Molecular Properties

Compound Name10-phenylbenzo[b][1,4]benzothiabismine
PubChem CID140603927
Molecular FormulaC18H13BiS
Molecular Weight470.35 g/mol
Exact Mass470.05
IUPAC Name10-phenylbenzo[b][1,4]benzothiabismine
SMILESc1ccc([Bi]2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C12H8S.C6H5.Bi/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-6-5-3-1;/h1-7,9H;1-5H;
InChIKeyFNSRUDWCDWFTAR-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 160621349
CID 160621349
7-phenyl-4,10-dioxa-7-bismatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene
CID 140603940
hexafluoroantimony(1-);thianthrene
CID 175165503
2-[2,3,4,5-tetrakis(1,3-benzodithiol-2-ylidene)cyclopentylidene]-1,3-benzodithiole
CID 102260692
CID 11485220
CID 11485220
1H-pyrrole;thianthrene
CID 175267663
benzo[b]thianthrene
CID 19906774
dihydroxy(oxo)phosphanium;7-thiabicyclo[4.1.0]hepta-1,3,5-triene
CID 175079585
2-(9H-thioxanthen-9-yl)-1,3-dioxolane
CID 11587116
5-phenylthianthren-5-ium tetrafluoroborate
CID 14198292
copper;9H-thioxanthene
CID 174315063
acetic acid;thianthrene;thianthrene 5-oxide
CID 159806519

Frequently Asked Questions

What is the IUPAC name of 10-phenylbenzo[b][1,4]benzothiabismine?
The IUPAC name of 10-phenylbenzo[b][1,4]benzothiabismine (CID 140603927) is 10-phenylbenzo[b][1,4]benzothiabismine.
What is the SMILES notation for 10-phenylbenzo[b][1,4]benzothiabismine?
The canonical SMILES for 10-phenylbenzo[b][1,4]benzothiabismine is c1ccc([Bi]2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of 10-phenylbenzo[b][1,4]benzothiabismine?
The InChIKey is FNSRUDWCDWFTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8S.C6H5.Bi/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-6-5-3-1;/h1-7,9H;1-5H;.
What are the key properties of 10-phenylbenzo[b][1,4]benzothiabismine?
10-phenylbenzo[b][1,4]benzothiabismine has a molecular weight of 470.35 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenylbenzo[b][1,4]benzothiabismine is sourced from PubChem (CID 140603927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).