3,14-diphenyl-7,11,18,22-tetrathiahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-1(12),2(10),3,5,8,13(21),14,16,19-nonaene

C30H16S4 — CID 155784524

IUPAC3,14-diphenyl-7,11,18,22-tetrathiahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-1(12),2(10),3,5,8,13(21),14,16,19-nonaene
SMILESc1ccc(-c2c3ccsc3cc3sc4c(sc5cc6sccc6c(-c6ccccc6)c54)c23)cc1
InChIInChI=1S/C30H16S4/c1-3-7-17(8-4-1)25-19-11-13-31-21(19)15-23-27(25)29-30(33-23)28-24(34-29)16-22-20(12-14-32-22)26(28)18-9-5-2-6-10-18/h1-16H
InChIKeyTVOUVIQHYVLZCT-UHFFFAOYSA-N
MW504.73 g/mol
LogP11.03
Rot. Bonds2

About 3,14-diphenyl-7,11,18,22-tetrathiahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-1(12),2(10),3,5,8,13(21),14,16,19-nonaene

3,14-diphenyl-7,11,18,22-tetrathiahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-1(12),2(10),3,5,8,13(21),14,16,19-nonaene (PubChem CID 155784524) has the molecular formula C30H16S4 and a molecular weight of 504.73 g/mol. Its IUPAC name is 3,14-diphenyl-7,11,18,22-tetrathiahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-1(12),2(10),3,5,8,13(21),14,16,19-nonaene.

Molecular Properties

Compound Name3,14-diphenyl-7,11,18,22-tetrathiahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-1(12),2(10),3,5,8,13(21),14,16,19-nonaene
PubChem CID155784524
Molecular FormulaC30H16S4
Molecular Weight504.73 g/mol
Exact Mass504.01
IUPAC Name3,14-diphenyl-7,11,18,22-tetrathiahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-1(12),2(10),3,5,8,13(21),14,16,19-nonaene
SMILESc1ccc(-c2c3ccsc3cc3sc4c(sc5cc6sccc6c(-c6ccccc6)c54)c23)cc1
InChIInChI=1S/C30H16S4/c1-3-7-17(8-4-1)25-19-11-13-31-21(19)15-23-27(25)29-30(33-23)28-24(34-29)16-22-20(12-14-32-22)26(28)18-9-5-2-6-10-18/h1-16H
InChIKeyTVOUVIQHYVLZCT-UHFFFAOYSA-N
XLogP11.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.73
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,14-diphenyl-7,11,18,22-tetrathiahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-1(12),2(10),3,5,8,13(21),14,16,19-nonaene with MolForge

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Related Compounds

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5-phenylthieno[3,2-e][1]benzothiol-4-ol
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7-(10-phenylanthracen-9-yl)-[1]benzothiolo[6,5-b][1]benzothiole
CID 176744739
7-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzothiole
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CID 140876335
4,6-diphenyl-2-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)pyrimidine
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12-[10-(4-phenylphenyl)anthracen-9-yl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
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11-[3-(10-phenylanthracen-9-yl)phenyl]-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene
CID 122427280
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Frequently Asked Questions

What is the IUPAC name of 3,14-diphenyl-7,11,18,22-tetrathiahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-1(12),2(10),3,5,8,13(21),14,16,19-nonaene?
The IUPAC name of 3,14-diphenyl-7,11,18,22-tetrathiahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-1(12),2(10),3,5,8,13(21),14,16,19-nonaene (CID 155784524) is 3,14-diphenyl-7,11,18,22-tetrathiahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-1(12),2(10),3,5,8,13(21),14,16,19-nonaene.
What is the SMILES notation for 3,14-diphenyl-7,11,18,22-tetrathiahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-1(12),2(10),3,5,8,13(21),14,16,19-nonaene?
The canonical SMILES for 3,14-diphenyl-7,11,18,22-tetrathiahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-1(12),2(10),3,5,8,13(21),14,16,19-nonaene is c1ccc(-c2c3ccsc3cc3sc4c(sc5cc6sccc6c(-c6ccccc6)c54)c23)cc1.
What is the InChIKey of 3,14-diphenyl-7,11,18,22-tetrathiahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-1(12),2(10),3,5,8,13(21),14,16,19-nonaene?
The InChIKey is TVOUVIQHYVLZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16S4/c1-3-7-17(8-4-1)25-19-11-13-31-21(19)15-23-27(25)29-30(33-23)28-24(34-29)16-22-20(12-14-32-22)26(28)18-9-5-2-6-10-18/h1-16H.
What are the key properties of 3,14-diphenyl-7,11,18,22-tetrathiahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-1(12),2(10),3,5,8,13(21),14,16,19-nonaene?
3,14-diphenyl-7,11,18,22-tetrathiahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-1(12),2(10),3,5,8,13(21),14,16,19-nonaene has a molecular weight of 504.73 g/mol, XLogP of 11.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,14-diphenyl-7,11,18,22-tetrathiahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-1(12),2(10),3,5,8,13(21),14,16,19-nonaene is sourced from PubChem (CID 155784524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).