7-methyl-17-phenyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene

C25H16STe — CID 166512585

IUPAC7-methyl-17-phenyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene
SMILESCc1cc2cc3cc4cc5[te]c(-c6ccccc6)cc5cc4cc3cc2s1
InChIInChI=1S/C25H16STe/c1-15-7-21-10-17-9-20-13-25-22(11-18(20)8-19(17)12-23(21)26-15)14-24(27-25)16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyIKLVJUUCISHOLZ-UHFFFAOYSA-N
MW476.07 g/mol
LogP7.39
Rot. Bonds1

About 7-methyl-17-phenyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene

7-methyl-17-phenyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene (PubChem CID 166512585) has the molecular formula C25H16STe and a molecular weight of 476.07 g/mol. Its IUPAC name is 7-methyl-17-phenyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene.

Molecular Properties

Compound Name7-methyl-17-phenyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene
PubChem CID166512585
Molecular FormulaC25H16STe
Molecular Weight476.07 g/mol
Exact Mass478.00
IUPAC Name7-methyl-17-phenyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene
SMILESCc1cc2cc3cc4cc5[te]c(-c6ccccc6)cc5cc4cc3cc2s1
InChIInChI=1S/C25H16STe/c1-15-7-21-10-17-9-20-13-25-22(11-18(20)8-19(17)12-23(21)26-15)14-24(27-25)16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyIKLVJUUCISHOLZ-UHFFFAOYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.07
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 7-methyl-17-phenyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene with MolForge

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Related Compounds

17-cyclopenta-1,3-dien-1-yl-7-methyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene
CID 166512596
8,23-dimethyl-9,24-dithia-15,30-ditelluraoctacyclo[14.14.0.02,14.04,12.06,10.017,29.019,27.021,25]triaconta-1(16),2(14),3,5,7,10,12,17(29),18,20,22,25,27-tridecaene
CID 140869089
2-phenyl-1-benzotellurophene
CID 10566538
2-methyl-7-phenyl-[1]benzotellurolo[6,5-f][1]benzoselenole
CID 166512597
6-cyclopenta-1,3-dien-1-yl-2-methyltelluropheno[3,2-f][1]benzothiole
CID 166512574
8,23-dimethyl-9,15,24,30-tetrathiaoctacyclo[14.14.0.02,14.04,12.06,10.017,29.019,27.021,25]triaconta-1(16),2(14),3,5,7,10,12,17(29),18,20,22,25,27-tridecaene
CID 122448647
5-chloro-2-methyl-1-benzothiophene
CID 2747689
5-(2,3-dimethyl-4-phenylnaphthalen-1-yl)-2-methyl-1-benzothiophene
CID 164935343
5-chloro-2-methyl-1-benzothiophene;ethane;propane
CID 142538359
7-phenyl-2-[2,3,5,6-tetrafluoro-4-(7-phenyl-[1]benzothiolo[5,6-f][1]benzothiol-2-yl)phenyl]-[1]benzothiolo[5,6-f][1]benzothiole
CID 170275022
5,6-difluoro-2-methyl-1-benzothiophene
CID 131029418
2,7,12,17-tetramethyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene
CID 59188490

Frequently Asked Questions

What is the IUPAC name of 7-methyl-17-phenyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene?
The IUPAC name of 7-methyl-17-phenyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene (CID 166512585) is 7-methyl-17-phenyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene.
What is the SMILES notation for 7-methyl-17-phenyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene?
The canonical SMILES for 7-methyl-17-phenyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene is Cc1cc2cc3cc4cc5[te]c(-c6ccccc6)cc5cc4cc3cc2s1.
What is the InChIKey of 7-methyl-17-phenyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene?
The InChIKey is IKLVJUUCISHOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16STe/c1-15-7-21-10-17-9-20-13-25-22(11-18(20)8-19(17)12-23(21)26-15)14-24(27-25)16-5-3-2-4-6-16/h2-14H,1H3.
What are the key properties of 7-methyl-17-phenyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene?
7-methyl-17-phenyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene has a molecular weight of 476.07 g/mol, XLogP of 7.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-17-phenyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene is sourced from PubChem (CID 166512585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).