6,7-dimethyl-9,23-diphenylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane

C38H48 — CID 91156369

IUPAC6,7-dimethyl-9,23-diphenylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane
SMILESCC1C(C)C2C(c3ccccc3)CC3C4CCC5CCC6CCC(C7CC(c8ccccc8)C1C2C73)C4C65
InChIInChI=1S/C38H48/c1-21-22(2)34-30(24-11-7-4-8-12-24)20-32-28-18-16-26-14-13-25-15-17-27(36(28)35(25)26)31-19-29(23-9-5-3-6-10-23)33(21)38(34)37(31)32/h3-12,21-22,25-38H,13-20H2,1-2H3
InChIKeyNRNJIEAYODCCEY-UHFFFAOYSA-N
MW504.80 g/mol
LogP9.44
Rot. Bonds2

About 6,7-dimethyl-9,23-diphenylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane

6,7-dimethyl-9,23-diphenylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane (PubChem CID 91156369) has the molecular formula C38H48 and a molecular weight of 504.80 g/mol. Its IUPAC name is 6,7-dimethyl-9,23-diphenylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane.

Molecular Properties

Compound Name6,7-dimethyl-9,23-diphenylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane
PubChem CID91156369
Molecular FormulaC38H48
Molecular Weight504.80 g/mol
Exact Mass504.38
IUPAC Name6,7-dimethyl-9,23-diphenylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane
SMILESCC1C(C)C2C(c3ccccc3)CC3C4CCC5CCC6CCC(C7CC(c8ccccc8)C1C2C73)C4C65
InChIInChI=1S/C38H48/c1-21-22(2)34-30(24-11-7-4-8-12-24)20-32-28-18-16-26-14-13-25-15-17-27(36(28)35(25)26)31-19-29(23-9-5-3-6-10-23)33(21)38(34)37(31)32/h3-12,21-22,25-38H,13-20H2,1-2H3
InChIKeyNRNJIEAYODCCEY-UHFFFAOYSA-N
XLogP9.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.80
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6,7-dimethyl-9,23-diphenylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane with MolForge

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Related Compounds

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Rubicene
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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-9,23-diphenylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane?
The IUPAC name of 6,7-dimethyl-9,23-diphenylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane (CID 91156369) is 6,7-dimethyl-9,23-diphenylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane.
What is the SMILES notation for 6,7-dimethyl-9,23-diphenylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane?
The canonical SMILES for 6,7-dimethyl-9,23-diphenylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane is CC1C(C)C2C(c3ccccc3)CC3C4CCC5CCC6CCC(C7CC(c8ccccc8)C1C2C73)C4C65.
What is the InChIKey of 6,7-dimethyl-9,23-diphenylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane?
The InChIKey is NRNJIEAYODCCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48/c1-21-22(2)34-30(24-11-7-4-8-12-24)20-32-28-18-16-26-14-13-25-15-17-27(36(28)35(25)26)31-19-29(23-9-5-3-6-10-23)33(21)38(34)37(31)32/h3-12,21-22,25-38H,13-20H2,1-2H3.
What are the key properties of 6,7-dimethyl-9,23-diphenylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane?
6,7-dimethyl-9,23-diphenylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane has a molecular weight of 504.80 g/mol, XLogP of 9.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-9,23-diphenylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane is sourced from PubChem (CID 91156369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).