14,14-diphenyl-14λ4-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene

C30H22S — CID 134455264

IUPAC14,14-diphenyl-14λ4-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
SMILESc1ccc(S2(c3ccccc3)c3ccccc3-c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C30H22S/c1-3-13-23(14-4-1)31(24-15-5-2-6-16-24)29-21-11-9-19-27(29)25-17-7-8-18-26(25)28-20-10-12-22-30(28)31/h1-22H
InChIKeyOWFKJRGQEKYIDD-UHFFFAOYSA-N
MW414.57 g/mol
LogP8.67
Rot. Bonds2

About 14,14-diphenyl-14λ4-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene

14,14-diphenyl-14λ4-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene (PubChem CID 134455264) has the molecular formula C30H22S and a molecular weight of 414.57 g/mol. Its IUPAC name is 14,14-diphenyl-14λ4-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene.

Molecular Properties

Compound Name14,14-diphenyl-14λ4-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
PubChem CID134455264
Molecular FormulaC30H22S
Molecular Weight414.57 g/mol
Exact Mass414.14
IUPAC Name14,14-diphenyl-14λ4-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
SMILESc1ccc(S2(c3ccccc3)c3ccccc3-c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C30H22S/c1-3-13-23(14-4-1)31(24-15-5-2-6-16-24)29-21-11-9-19-27(29)25-17-7-8-18-26(25)28-20-10-12-22-30(28)31/h1-22H
InChIKeyOWFKJRGQEKYIDD-UHFFFAOYSA-N
XLogP8.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.57
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 14,14-diphenyl-14λ4-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene with MolForge

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Related Compounds

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7,7-diphenylnaphtho[2,1-b][1]benzothiole
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4-(4-fluorophenyl)-5,5-diphenyldibenzothiophene
CID 139447436
spiro[dibenzothiophene-5,5'-thianthrene]
CID 167175513
1-phenyl-1λ4-thia-14-azahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene
CID 130347157
3-[9-(5,5-diphenyldibenzothiophen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 137466559
1,9-dimethyl-5,5-diphenylthianthrene
CID 167295153
4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenyldibenzothiophen-2-yl)phenyl]aniline
CID 134462258
methyl (5-phenyldibenzothiophen-5-yl) sulfate
CID 153470135
10-(2-bromophenyl)-5,5-diphenylphenothiazine
CID 155353302
5,5-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-9-amine
CID 169285419
biphenylene;hydron
CID 173077542

Frequently Asked Questions

What is the IUPAC name of 14,14-diphenyl-14λ4-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The IUPAC name of 14,14-diphenyl-14λ4-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene (CID 134455264) is 14,14-diphenyl-14λ4-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene.
What is the SMILES notation for 14,14-diphenyl-14λ4-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The canonical SMILES for 14,14-diphenyl-14λ4-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene is c1ccc(S2(c3ccccc3)c3ccccc3-c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 14,14-diphenyl-14λ4-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The InChIKey is OWFKJRGQEKYIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22S/c1-3-13-23(14-4-1)31(24-15-5-2-6-16-24)29-21-11-9-19-27(29)25-17-7-8-18-26(25)28-20-10-12-22-30(28)31/h1-22H.
What are the key properties of 14,14-diphenyl-14λ4-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
14,14-diphenyl-14λ4-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene has a molecular weight of 414.57 g/mol, XLogP of 8.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-diphenyl-14λ4-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene is sourced from PubChem (CID 134455264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).