2-(6-methylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolane

C28H32S2 — CID 20709722

IUPAC2-(6-methylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolane
SMILESCc1ccc2cc(C3(c4ccc5c(c4)C(C)(C)CCC5(C)C)SCCS3)ccc2c1
InChIInChI=1S/C28H32S2/c1-19-6-7-21-17-22(9-8-20(21)16-19)28(29-14-15-30-28)23-10-11-24-25(18-23)27(4,5)13-12-26(24,2)3/h6-11,16-18H,12-15H2,1-5H3
InChIKeyQAXWCDLXCSRVCE-UHFFFAOYSA-N
MW432.70 g/mol
LogP8.18
Rot. Bonds2

About 2-(6-methylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolane

2-(6-methylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolane (PubChem CID 20709722) has the molecular formula C28H32S2 and a molecular weight of 432.70 g/mol. Its IUPAC name is 2-(6-methylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolane.

Molecular Properties

Compound Name2-(6-methylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolane
PubChem CID20709722
Molecular FormulaC28H32S2
Molecular Weight432.70 g/mol
Exact Mass432.19
IUPAC Name2-(6-methylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolane
SMILESCc1ccc2cc(C3(c4ccc5c(c4)C(C)(C)CCC5(C)C)SCCS3)ccc2c1
InChIInChI=1S/C28H32S2/c1-19-6-7-21-17-22(9-8-20(21)16-19)28(29-14-15-30-28)23-10-11-24-25(18-23)27(4,5)13-12-26(24,2)3/h6-11,16-18H,12-15H2,1-5H3
InChIKeyQAXWCDLXCSRVCE-UHFFFAOYSA-N
XLogP8.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.70
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(6-methylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolane with MolForge

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Related Compounds

ethane;6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolan-2-yl]naphthalene-2-carboxylic acid
CID 159285090
[4-(2-oxopropyl)phenyl] 6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolan-2-yl]naphthalene-2-carboxylate
CID 159347824
3-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolan-2-yl]phenyl]propanoic acid
CID 121472067
1,1,4,4-tetramethyl-6-(4-methylphenyl)-2,3-dihydroanthracene
CID 21477505
methyl 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]naphthalene-2-carboxylate
CID 10669381
4-ethyl-1,1,4,6-tetramethyl-2,3-dihydronaphthalene;methane;2-methylnaphthalene
CID 142040803
CID 136843705
CID 136843705
4-(4-methylphenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)furan
CID 14726505
6-(2-methoxy-5-methylphenyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
CID 90715574
2,9-dimethylpentacene
CID 11460950
9,9-bis(6-methylnaphthalen-2-yl)fluorene;ethane
CID 145302395
[1-(7-methylnaphthalen-2-yl)cyclopropyl]methanamine
CID 105465206

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolane?
The IUPAC name of 2-(6-methylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolane (CID 20709722) is 2-(6-methylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolane.
What is the SMILES notation for 2-(6-methylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolane?
The canonical SMILES for 2-(6-methylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolane is Cc1ccc2cc(C3(c4ccc5c(c4)C(C)(C)CCC5(C)C)SCCS3)ccc2c1.
What is the InChIKey of 2-(6-methylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolane?
The InChIKey is QAXWCDLXCSRVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32S2/c1-19-6-7-21-17-22(9-8-20(21)16-19)28(29-14-15-30-28)23-10-11-24-25(18-23)27(4,5)13-12-26(24,2)3/h6-11,16-18H,12-15H2,1-5H3.
What are the key properties of 2-(6-methylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolane?
2-(6-methylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolane has a molecular weight of 432.70 g/mol, XLogP of 8.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolane is sourced from PubChem (CID 20709722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).