3,4,4,5,6,6,8,9,10,11,11,12-dodecamethyl-7,9-diphenylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane

C36H46 — CID 58652261

IUPAC3,4,4,5,6,6,8,9,10,11,11,12-dodecamethyl-7,9-diphenylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane
SMILESCC1(C)C2(C)C(C)(c3ccccc3)C3(C)C4(c5ccccc5)C(C)(C)C5(C)C(C)(C)C6(C)C1(C)C23C564
InChIInChI=1S/C36H46/c1-25(2)29(8)27(5,6)34(24-21-17-14-18-22-24)33(12)28(7,23-19-15-13-16-20-23)30(9)26(3,4)31(10)32(25,11)36(29,34)35(30,31)33/h13-22H,1-12H3
InChIKeyTXJACYUKFNPOQY-UHFFFAOYSA-N
MW478.76 g/mol
LogP9.05
Rot. Bonds2

About 3,4,4,5,6,6,8,9,10,11,11,12-dodecamethyl-7,9-diphenylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane

3,4,4,5,6,6,8,9,10,11,11,12-dodecamethyl-7,9-diphenylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane (PubChem CID 58652261) has the molecular formula C36H46 and a molecular weight of 478.76 g/mol. Its IUPAC name is 3,4,4,5,6,6,8,9,10,11,11,12-dodecamethyl-7,9-diphenylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane.

Molecular Properties

Compound Name3,4,4,5,6,6,8,9,10,11,11,12-dodecamethyl-7,9-diphenylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane
PubChem CID58652261
Molecular FormulaC36H46
Molecular Weight478.76 g/mol
Exact Mass478.36
IUPAC Name3,4,4,5,6,6,8,9,10,11,11,12-dodecamethyl-7,9-diphenylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane
SMILESCC1(C)C2(C)C(C)(c3ccccc3)C3(C)C4(c5ccccc5)C(C)(C)C5(C)C(C)(C)C6(C)C1(C)C23C564
InChIInChI=1S/C36H46/c1-25(2)29(8)27(5,6)34(24-21-17-14-18-22-24)33(12)28(7,23-19-15-13-16-20-23)30(9)26(3,4)31(10)32(25,11)36(29,34)35(30,31)33/h13-22H,1-12H3
InChIKeyTXJACYUKFNPOQY-UHFFFAOYSA-N
XLogP9.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.76
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,4,4,5,6,6,8,9,10,11,11,12-dodecamethyl-7,9-diphenylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,4,4,5,6,6,8,9,10,11,11,12-dodecamethyl-7,9-diphenylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane?
The IUPAC name of 3,4,4,5,6,6,8,9,10,11,11,12-dodecamethyl-7,9-diphenylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane (CID 58652261) is 3,4,4,5,6,6,8,9,10,11,11,12-dodecamethyl-7,9-diphenylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane.
What is the SMILES notation for 3,4,4,5,6,6,8,9,10,11,11,12-dodecamethyl-7,9-diphenylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane?
The canonical SMILES for 3,4,4,5,6,6,8,9,10,11,11,12-dodecamethyl-7,9-diphenylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane is CC1(C)C2(C)C(C)(c3ccccc3)C3(C)C4(c5ccccc5)C(C)(C)C5(C)C(C)(C)C6(C)C1(C)C23C564.
What is the InChIKey of 3,4,4,5,6,6,8,9,10,11,11,12-dodecamethyl-7,9-diphenylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane?
The InChIKey is TXJACYUKFNPOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46/c1-25(2)29(8)27(5,6)34(24-21-17-14-18-22-24)33(12)28(7,23-19-15-13-16-20-23)30(9)26(3,4)31(10)32(25,11)36(29,34)35(30,31)33/h13-22H,1-12H3.
What are the key properties of 3,4,4,5,6,6,8,9,10,11,11,12-dodecamethyl-7,9-diphenylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane?
3,4,4,5,6,6,8,9,10,11,11,12-dodecamethyl-7,9-diphenylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane has a molecular weight of 478.76 g/mol, XLogP of 9.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,5,6,6,8,9,10,11,11,12-dodecamethyl-7,9-diphenylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane is sourced from PubChem (CID 58652261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).