2,10,12,14-tetrathiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,16,18-heptaene

C16H10S4 — CID 71119700

IUPAC2,10,12,14-tetrathiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,16,18-heptaene
SMILESC1=CC2SC3=C(Sc4c(sc5ccccc45)S3)C2C=C1
InChIInChI=1S/C16H10S4/c1-3-7-11-9(5-1)13-15(17-11)20-16-14(19-13)10-6-2-4-8-12(10)18-16/h1-9,11H
InChIKeyXTQKZWNDQSUOSE-UHFFFAOYSA-N
MW330.52 g/mol
LogP6.13
Rot. Bonds

About 2,10,12,14-tetrathiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,16,18-heptaene

2,10,12,14-tetrathiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,16,18-heptaene (PubChem CID 71119700) has the molecular formula C16H10S4 and a molecular weight of 330.52 g/mol. Its IUPAC name is 2,10,12,14-tetrathiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,16,18-heptaene.

Molecular Properties

Compound Name2,10,12,14-tetrathiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,16,18-heptaene
PubChem CID71119700
Molecular FormulaC16H10S4
Molecular Weight330.52 g/mol
Exact Mass329.97
IUPAC Name2,10,12,14-tetrathiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,16,18-heptaene
SMILESC1=CC2SC3=C(Sc4c(sc5ccccc45)S3)C2C=C1
InChIInChI=1S/C16H10S4/c1-3-7-11-9(5-1)13-15(17-11)20-16-14(19-13)10-6-2-4-8-12(10)18-16/h1-9,11H
InChIKeyXTQKZWNDQSUOSE-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 135012816
N-[amino(phenyl)methylidene]-N'-(1-dibenzothiophen-4-ylethyl)-5a,9a-dihydrodibenzothiophene-4-carboximidamide
CID 163651163
3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-dibenzothiophen-3-ylcarbazole
CID 144650069
N-(5a,9a-dihydrodibenzothiophen-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-3-amine
CID 146631037
3-(2-sulfanyl-1-benzothiophen-3-yl)-1-benzothiophene-2-thiol
CID 101439784
dibenzothiophene;methane
CID 162233710
6-butan-2-yl-4a,9b-dihydrodibenzothiophene
CID 146854747
3-(4b,8a-dihydrotriphenylen-2-yl)-[1]benzothiolo[2,3-b]pyridine
CID 147001662
9-(5a,9a-dihydrodibenzothiophen-2-yl)-3-carbazol-9-ylcarbazole
CID 153201304
bis(dibenzothiophene);ethane
CID 143921746
2-(3-phenylphenyl)-4-[3-[2-[2-[2-(3-phenylphenyl)-5a,9a-dihydro-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 157149809

Frequently Asked Questions

What is the IUPAC name of 2,10,12,14-tetrathiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,16,18-heptaene?
The IUPAC name of 2,10,12,14-tetrathiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,16,18-heptaene (CID 71119700) is 2,10,12,14-tetrathiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,16,18-heptaene.
What is the SMILES notation for 2,10,12,14-tetrathiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,16,18-heptaene?
The canonical SMILES for 2,10,12,14-tetrathiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,16,18-heptaene is C1=CC2SC3=C(Sc4c(sc5ccccc45)S3)C2C=C1.
What is the InChIKey of 2,10,12,14-tetrathiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,16,18-heptaene?
The InChIKey is XTQKZWNDQSUOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10S4/c1-3-7-11-9(5-1)13-15(17-11)20-16-14(19-13)10-6-2-4-8-12(10)18-16/h1-9,11H.
What are the key properties of 2,10,12,14-tetrathiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,16,18-heptaene?
2,10,12,14-tetrathiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,16,18-heptaene has a molecular weight of 330.52 g/mol, XLogP of 6.13, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10,12,14-tetrathiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,16,18-heptaene is sourced from PubChem (CID 71119700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).