4,6,10,12-tetraphenyl-2,5,8,11-tetrathiatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene

C32H20S4 — CID 177405834

IUPAC4,6,10,12-tetraphenyl-2,5,8,11-tetrathiatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
SMILESc1ccc(-c2sc(-c3ccccc3)c3c2Sc2c(-c4ccccc4)sc(-c4ccccc4)c2S3)cc1
InChIInChI=1S/C32H20S4/c1-5-13-21(14-6-1)25-29-30(26(33-25)22-15-7-2-8-16-22)36-32-28(24-19-11-4-12-20-24)34-27(31(32)35-29)23-17-9-3-10-18-23/h1-20H
InChIKeyMJJBYTAGGIFCJM-UHFFFAOYSA-N
MW532.78 g/mol
LogP11.09
Rot. Bonds4

About 4,6,10,12-tetraphenyl-2,5,8,11-tetrathiatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene

4,6,10,12-tetraphenyl-2,5,8,11-tetrathiatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene (PubChem CID 177405834) has the molecular formula C32H20S4 and a molecular weight of 532.78 g/mol. Its IUPAC name is 4,6,10,12-tetraphenyl-2,5,8,11-tetrathiatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene.

Molecular Properties

Compound Name4,6,10,12-tetraphenyl-2,5,8,11-tetrathiatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
PubChem CID177405834
Molecular FormulaC32H20S4
Molecular Weight532.78 g/mol
Exact Mass532.04
IUPAC Name4,6,10,12-tetraphenyl-2,5,8,11-tetrathiatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
SMILESc1ccc(-c2sc(-c3ccccc3)c3c2Sc2c(-c4ccccc4)sc(-c4ccccc4)c2S3)cc1
InChIInChI=1S/C32H20S4/c1-5-13-21(14-6-1)25-29-30(26(33-25)22-15-7-2-8-16-22)36-32-28(24-19-11-4-12-20-24)34-27(31(32)35-29)23-17-9-3-10-18-23/h1-20H
InChIKeyMJJBYTAGGIFCJM-UHFFFAOYSA-N
XLogP11.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.78
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-bis[4-(3,4-dimethyl-5-phenylthiophen-2-yl)phenyl]-3,4-dimethylthiophene
CID 59718202
3,4-bis(chloromethyl)-2,5-diphenylthiophene
CID 11727323
carbonic acid;2,3,4,5-tetraphenylthiophene
CID 23188696
4-chloro-3-methyl-2-(4-methylphenyl)-5-phenylthiophene
CID 86098596
3-bromo-4-methyl-2,5-diphenylthiophene
CID 89479588
4,6-diphenylthieno[3,4-d][1,3]dioxol-2-one
CID 54413505
2,3,5-tris(4-chlorophenyl)-4-phenylthiophene
CID 139964410
4-chloro-2-(4-chlorophenyl)-3-methyl-5-phenylthiophene
CID 86098601
benzene;tris(1,1'-biphenyl)
CID 162155747
N,N-diphenyl-4-(3,4,5-triphenylthiophen-2-yl)aniline
CID 14876632
3,4,6,7-tetraphenylthieno[3,2-c]dithiine
CID 13015937
2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene
CID 15625929

Frequently Asked Questions

What is the IUPAC name of 4,6,10,12-tetraphenyl-2,5,8,11-tetrathiatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene?
The IUPAC name of 4,6,10,12-tetraphenyl-2,5,8,11-tetrathiatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene (CID 177405834) is 4,6,10,12-tetraphenyl-2,5,8,11-tetrathiatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene.
What is the SMILES notation for 4,6,10,12-tetraphenyl-2,5,8,11-tetrathiatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene?
The canonical SMILES for 4,6,10,12-tetraphenyl-2,5,8,11-tetrathiatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene is c1ccc(-c2sc(-c3ccccc3)c3c2Sc2c(-c4ccccc4)sc(-c4ccccc4)c2S3)cc1.
What is the InChIKey of 4,6,10,12-tetraphenyl-2,5,8,11-tetrathiatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene?
The InChIKey is MJJBYTAGGIFCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20S4/c1-5-13-21(14-6-1)25-29-30(26(33-25)22-15-7-2-8-16-22)36-32-28(24-19-11-4-12-20-24)34-27(31(32)35-29)23-17-9-3-10-18-23/h1-20H.
What are the key properties of 4,6,10,12-tetraphenyl-2,5,8,11-tetrathiatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene?
4,6,10,12-tetraphenyl-2,5,8,11-tetrathiatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene has a molecular weight of 532.78 g/mol, XLogP of 11.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,10,12-tetraphenyl-2,5,8,11-tetrathiatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene is sourced from PubChem (CID 177405834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).