10,10-dimethyl-14,21-diphenyl-10λ4-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene

C34H26S — CID 91171956

IUPAC10,10-dimethyl-14,21-diphenyl-10λ4-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
SMILESCS1(C)c2ccccc2-c2cc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3cc21
InChIInChI=1S/C34H26S/c1-35(2)31-20-12-11-17-25(31)28-21-29-30(22-32(28)35)34(24-15-7-4-8-16-24)27-19-10-9-18-26(27)33(29)23-13-5-3-6-14-23/h3-22H,1-2H3
InChIKeyNVYIEOXTHRUSAG-UHFFFAOYSA-N
MW466.65 g/mol
LogP9.79
Rot. Bonds2

About 10,10-dimethyl-14,21-diphenyl-10λ4-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene

10,10-dimethyl-14,21-diphenyl-10λ4-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene (PubChem CID 91171956) has the molecular formula C34H26S and a molecular weight of 466.65 g/mol. Its IUPAC name is 10,10-dimethyl-14,21-diphenyl-10λ4-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene.

Molecular Properties

Compound Name10,10-dimethyl-14,21-diphenyl-10λ4-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
PubChem CID91171956
Molecular FormulaC34H26S
Molecular Weight466.65 g/mol
Exact Mass466.18
IUPAC Name10,10-dimethyl-14,21-diphenyl-10λ4-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
SMILESCS1(C)c2ccccc2-c2cc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3cc21
InChIInChI=1S/C34H26S/c1-35(2)31-20-12-11-17-25(31)28-21-29-30(22-32(28)35)34(24-15-7-4-8-16-24)27-19-10-9-18-26(27)33(29)23-13-5-3-6-14-23/h3-22H,1-2H3
InChIKeyNVYIEOXTHRUSAG-UHFFFAOYSA-N
XLogP9.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.65
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 10,10-dimethyl-14,21-diphenyl-10λ4-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene with MolForge

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Related Compounds

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9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
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2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene
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9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene
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9-(3,5-dimethylphenyl)-10-phenylanthracene
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5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
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9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-14,21-diphenyl-10λ4-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?
The IUPAC name of 10,10-dimethyl-14,21-diphenyl-10λ4-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene (CID 91171956) is 10,10-dimethyl-14,21-diphenyl-10λ4-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene.
What is the SMILES notation for 10,10-dimethyl-14,21-diphenyl-10λ4-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?
The canonical SMILES for 10,10-dimethyl-14,21-diphenyl-10λ4-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene is CS1(C)c2ccccc2-c2cc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3cc21.
What is the InChIKey of 10,10-dimethyl-14,21-diphenyl-10λ4-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?
The InChIKey is NVYIEOXTHRUSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26S/c1-35(2)31-20-12-11-17-25(31)28-21-29-30(22-32(28)35)34(24-15-7-4-8-16-24)27-19-10-9-18-26(27)33(29)23-13-5-3-6-14-23/h3-22H,1-2H3.
What are the key properties of 10,10-dimethyl-14,21-diphenyl-10λ4-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?
10,10-dimethyl-14,21-diphenyl-10λ4-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene has a molecular weight of 466.65 g/mol, XLogP of 9.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-14,21-diphenyl-10λ4-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene is sourced from PubChem (CID 91171956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).