7-benzhydrylidene-4,10-dithia-3,5,9,11-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene

C18H10N4S2 — CID 10521524

IUPAC7-benzhydrylidene-4,10-dithia-3,5,9,11-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene
SMILESc1ccc(C(=C2c3nsnc3-c3nsnc32)c2ccccc2)cc1
InChIInChI=1S/C18H10N4S2/c1-3-7-11(8-4-1)13(12-9-5-2-6-10-12)14-15-17(21-23-19-15)18-16(14)20-24-22-18/h1-10H
InChIKeyWFSWFUMIWWIJET-UHFFFAOYSA-N
MW346.44 g/mol
LogP4.38
Rot. Bonds2

About 7-benzhydrylidene-4,10-dithia-3,5,9,11-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene

7-benzhydrylidene-4,10-dithia-3,5,9,11-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene (PubChem CID 10521524) has the molecular formula C18H10N4S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 7-benzhydrylidene-4,10-dithia-3,5,9,11-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene.

Molecular Properties

Compound Name7-benzhydrylidene-4,10-dithia-3,5,9,11-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene
PubChem CID10521524
Molecular FormulaC18H10N4S2
Molecular Weight346.44 g/mol
Exact Mass346.03
IUPAC Name7-benzhydrylidene-4,10-dithia-3,5,9,11-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene
SMILESc1ccc(C(=C2c3nsnc3-c3nsnc32)c2ccccc2)cc1
InChIInChI=1S/C18H10N4S2/c1-3-7-11(8-4-1)13(12-9-5-2-6-10-12)14-15-17(21-23-19-15)18-16(14)20-24-22-18/h1-10H
InChIKeyWFSWFUMIWWIJET-UHFFFAOYSA-N
XLogP4.38
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-benzhydrylidene-4,10-dithia-3,5,9,11-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzhydrylidene-2,2-dibromocyclobutane-1,3-dione
CID 101079192
hydroxy(triphenyl)silane
CID 139058622
benzene;silicic acid
CID 70544717
(5Z)-2-benzhydrylidene-5-(5-benzhydrylidenethiophen-2-ylidene)thiophene
CID 177413114
CID 12505640
CID 12505640
(Z)-1,2-diphenylethene-1,2-diol
CID 11012436
tris(hydroxy(triphenyl)silane);molybdenum
CID 140735235
4,7-bis[4-(1,2,2-triphenylethenyl)phenyl]-2,1,3-benzothiadiazole-5,6-diamine
CID 135141003
4-[cyclopropa[b]naphthalen-1-ylidene(phenyl)methyl]phenol
CID 11427189
9-benzhydrylidene-2-methylfluorene
CID 631309
2-benzhydrylideneoxirane
CID 174764540
4-benzhydrylidene-2,3-dibromonaphthalen-1-one
CID 12963079

Frequently Asked Questions

What is the IUPAC name of 7-benzhydrylidene-4,10-dithia-3,5,9,11-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene?
The IUPAC name of 7-benzhydrylidene-4,10-dithia-3,5,9,11-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene (CID 10521524) is 7-benzhydrylidene-4,10-dithia-3,5,9,11-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene.
What is the SMILES notation for 7-benzhydrylidene-4,10-dithia-3,5,9,11-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene?
The canonical SMILES for 7-benzhydrylidene-4,10-dithia-3,5,9,11-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene is c1ccc(C(=C2c3nsnc3-c3nsnc32)c2ccccc2)cc1.
What is the InChIKey of 7-benzhydrylidene-4,10-dithia-3,5,9,11-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene?
The InChIKey is WFSWFUMIWWIJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N4S2/c1-3-7-11(8-4-1)13(12-9-5-2-6-10-12)14-15-17(21-23-19-15)18-16(14)20-24-22-18/h1-10H.
What are the key properties of 7-benzhydrylidene-4,10-dithia-3,5,9,11-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene?
7-benzhydrylidene-4,10-dithia-3,5,9,11-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene has a molecular weight of 346.44 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzhydrylidene-4,10-dithia-3,5,9,11-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene is sourced from PubChem (CID 10521524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).