1,2,3,4-tetraethyl-5,6,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene

C34H52 — CID 139940266

IUPAC1,2,3,4-tetraethyl-5,6,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene
SMILESCCc1c(CC)c(CC)c2c(c1CC)Cc1c(c(C(C)C)c(C(C)C)c(C(C)C)c1C(C)C)C2
InChIInChI=1S/C34H52/c1-13-23-24(14-2)26(16-4)28-18-30-29(17-27(28)25(23)15-3)31(19(5)6)33(21(9)10)34(22(11)12)32(30)20(7)8/h19-22H,13-18H2,1-12H3
InChIKeyHYQUYFAVDCIHMH-UHFFFAOYSA-N
MW460.79 g/mol
LogP9.92
Rot. Bonds8

About 1,2,3,4-tetraethyl-5,6,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene

1,2,3,4-tetraethyl-5,6,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene (PubChem CID 139940266) has the molecular formula C34H52 and a molecular weight of 460.79 g/mol. Its IUPAC name is 1,2,3,4-tetraethyl-5,6,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene.

Molecular Properties

Compound Name1,2,3,4-tetraethyl-5,6,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene
PubChem CID139940266
Molecular FormulaC34H52
Molecular Weight460.79 g/mol
Exact Mass460.41
IUPAC Name1,2,3,4-tetraethyl-5,6,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene
SMILESCCc1c(CC)c(CC)c2c(c1CC)Cc1c(c(C(C)C)c(C(C)C)c(C(C)C)c1C(C)C)C2
InChIInChI=1S/C34H52/c1-13-23-24(14-2)26(16-4)28-18-30-29(17-27(28)25(23)15-3)31(19(5)6)33(21(9)10)34(22(11)12)32(30)20(7)8/h19-22H,13-18H2,1-12H3
InChIKeyHYQUYFAVDCIHMH-UHFFFAOYSA-N
XLogP9.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.79
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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3-ethyl-2,4,5-tri(propan-2-yl)-1H-pyrrole
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9-ethyl-10-propan-2-ylanthracene
CID 145486234
1-ethyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)benzene
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3,4-diethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline
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1-butan-2-yl-3-ethyl-4-methyl-2-propan-2-ylbenzene
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sodium 2-chloro-4-ethyl-3,5-dimethyl-6-propan-2-ylphenol
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1-ethyl-2,3,4,5-tetra(propan-2-yl)benzene
CID 54148027
3-ethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
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3,6-diethyl-2,5-di(propan-2-yl)thieno[3,2-b]thiophene
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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetraethyl-5,6,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene?
The IUPAC name of 1,2,3,4-tetraethyl-5,6,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene (CID 139940266) is 1,2,3,4-tetraethyl-5,6,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene.
What is the SMILES notation for 1,2,3,4-tetraethyl-5,6,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene?
The canonical SMILES for 1,2,3,4-tetraethyl-5,6,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene is CCc1c(CC)c(CC)c2c(c1CC)Cc1c(c(C(C)C)c(C(C)C)c(C(C)C)c1C(C)C)C2.
What is the InChIKey of 1,2,3,4-tetraethyl-5,6,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene?
The InChIKey is HYQUYFAVDCIHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H52/c1-13-23-24(14-2)26(16-4)28-18-30-29(17-27(28)25(23)15-3)31(19(5)6)33(21(9)10)34(22(11)12)32(30)20(7)8/h19-22H,13-18H2,1-12H3.
What are the key properties of 1,2,3,4-tetraethyl-5,6,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene?
1,2,3,4-tetraethyl-5,6,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene has a molecular weight of 460.79 g/mol, XLogP of 9.92, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetraethyl-5,6,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene is sourced from PubChem (CID 139940266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).