13-methyl-25-phenyl-1,25-diazaoctacyclo[11.11.1.13,7.115,19.02,12.014,24.011,27.023,26]heptacosa-3,5,7(27),8,10,15,17,19(26),20,22-decaene

C32H24N2 — CID 11834973

IUPAC13-methyl-25-phenyl-1,25-diazaoctacyclo[11.11.1.13,7.115,19.02,12.014,24.011,27.023,26]heptacosa-3,5,7(27),8,10,15,17,19(26),20,22-decaene
SMILESCC12C3c4cccc5cccc(c45)C3N(C3c4cccc5cccc(c45)C31)N2c1ccccc1
InChIInChI=1S/C32H24N2/c1-32-28-22-15-5-9-19-11-7-17-24(26(19)22)30(28)33(34(32)21-13-3-2-4-14-21)31-25-18-8-12-20-10-6-16-23(27(20)25)29(31)32/h2-18,28-31H,1H3
InChIKeyIDPUIWYSFAENMW-UHFFFAOYSA-N
MW436.56 g/mol
LogP7.48
Rot. Bonds1

About 13-methyl-25-phenyl-1,25-diazaoctacyclo[11.11.1.13,7.115,19.02,12.014,24.011,27.023,26]heptacosa-3,5,7(27),8,10,15,17,19(26),20,22-decaene

13-methyl-25-phenyl-1,25-diazaoctacyclo[11.11.1.13,7.115,19.02,12.014,24.011,27.023,26]heptacosa-3,5,7(27),8,10,15,17,19(26),20,22-decaene (PubChem CID 11834973) has the molecular formula C32H24N2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 13-methyl-25-phenyl-1,25-diazaoctacyclo[11.11.1.13,7.115,19.02,12.014,24.011,27.023,26]heptacosa-3,5,7(27),8,10,15,17,19(26),20,22-decaene.

Molecular Properties

Compound Name13-methyl-25-phenyl-1,25-diazaoctacyclo[11.11.1.13,7.115,19.02,12.014,24.011,27.023,26]heptacosa-3,5,7(27),8,10,15,17,19(26),20,22-decaene
PubChem CID11834973
Molecular FormulaC32H24N2
Molecular Weight436.56 g/mol
Exact Mass436.19
IUPAC Name13-methyl-25-phenyl-1,25-diazaoctacyclo[11.11.1.13,7.115,19.02,12.014,24.011,27.023,26]heptacosa-3,5,7(27),8,10,15,17,19(26),20,22-decaene
SMILESCC12C3c4cccc5cccc(c45)C3N(C3c4cccc5cccc(c45)C31)N2c1ccccc1
InChIInChI=1S/C32H24N2/c1-32-28-22-15-5-9-19-11-7-17-24(26(19)22)30(28)33(34(32)21-13-3-2-4-14-21)31-25-18-8-12-20-10-6-16-23(27(20)25)29(31)32/h2-18,28-31H,1H3
InChIKeyIDPUIWYSFAENMW-UHFFFAOYSA-N
XLogP7.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 13-methyl-25-phenyl-1,25-diazaoctacyclo[11.11.1.13,7.115,19.02,12.014,24.011,27.023,26]heptacosa-3,5,7(27),8,10,15,17,19(26),20,22-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-25-phenyl-1,25-diazaoctacyclo[11.11.1.13,7.115,19.02,12.014,24.011,27.023,26]heptacosa-3,5,7(27),8,10,15,17,19(26),20,22-decaene?
The IUPAC name of 13-methyl-25-phenyl-1,25-diazaoctacyclo[11.11.1.13,7.115,19.02,12.014,24.011,27.023,26]heptacosa-3,5,7(27),8,10,15,17,19(26),20,22-decaene (CID 11834973) is 13-methyl-25-phenyl-1,25-diazaoctacyclo[11.11.1.13,7.115,19.02,12.014,24.011,27.023,26]heptacosa-3,5,7(27),8,10,15,17,19(26),20,22-decaene.
What is the SMILES notation for 13-methyl-25-phenyl-1,25-diazaoctacyclo[11.11.1.13,7.115,19.02,12.014,24.011,27.023,26]heptacosa-3,5,7(27),8,10,15,17,19(26),20,22-decaene?
The canonical SMILES for 13-methyl-25-phenyl-1,25-diazaoctacyclo[11.11.1.13,7.115,19.02,12.014,24.011,27.023,26]heptacosa-3,5,7(27),8,10,15,17,19(26),20,22-decaene is CC12C3c4cccc5cccc(c45)C3N(C3c4cccc5cccc(c45)C31)N2c1ccccc1.
What is the InChIKey of 13-methyl-25-phenyl-1,25-diazaoctacyclo[11.11.1.13,7.115,19.02,12.014,24.011,27.023,26]heptacosa-3,5,7(27),8,10,15,17,19(26),20,22-decaene?
The InChIKey is IDPUIWYSFAENMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2/c1-32-28-22-15-5-9-19-11-7-17-24(26(19)22)30(28)33(34(32)21-13-3-2-4-14-21)31-25-18-8-12-20-10-6-16-23(27(20)25)29(31)32/h2-18,28-31H,1H3.
What are the key properties of 13-methyl-25-phenyl-1,25-diazaoctacyclo[11.11.1.13,7.115,19.02,12.014,24.011,27.023,26]heptacosa-3,5,7(27),8,10,15,17,19(26),20,22-decaene?
13-methyl-25-phenyl-1,25-diazaoctacyclo[11.11.1.13,7.115,19.02,12.014,24.011,27.023,26]heptacosa-3,5,7(27),8,10,15,17,19(26),20,22-decaene has a molecular weight of 436.56 g/mol, XLogP of 7.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-25-phenyl-1,25-diazaoctacyclo[11.11.1.13,7.115,19.02,12.014,24.011,27.023,26]heptacosa-3,5,7(27),8,10,15,17,19(26),20,22-decaene is sourced from PubChem (CID 11834973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).