11-ethenyl-16,21,24-trimethyl-14-methylidene-26-oxa-12,15,28-triazahexacyclo[15.11.0.04,13.05,10.019,27.020,25]octacosa-1(17),5,7,9,11,15,18,20,22,24,27-undecaene

C30H27N3O — CID 167249652

IUPAC11-ethenyl-16,21,24-trimethyl-14-methylidene-26-oxa-12,15,28-triazahexacyclo[15.11.0.04,13.05,10.019,27.020,25]octacosa-1(17),5,7,9,11,15,18,20,22,24,27-undecaene
SMILESC=CC1=NC2C(=C)/N=C(/C)c3cc4c(nc3CCC2c2ccccc21)oc1c(C)ccc(C)c14
InChIInChI=1S/C30H27N3O/c1-6-25-21-10-8-7-9-20(21)22-13-14-26-23(18(4)31-19(5)28(22)32-25)15-24-27-16(2)11-12-17(3)29(27)34-30(24)33-26/h6-12,15,22,28H,1,5,13-14H2,2-4H3/b31-18-
InChIKeyGRAVZBIIWDIDSJ-MNBJERMJSA-N
MW445.57 g/mol
LogP7.01
Rot. Bonds1

About 11-ethenyl-16,21,24-trimethyl-14-methylidene-26-oxa-12,15,28-triazahexacyclo[15.11.0.04,13.05,10.019,27.020,25]octacosa-1(17),5,7,9,11,15,18,20,22,24,27-undecaene

11-ethenyl-16,21,24-trimethyl-14-methylidene-26-oxa-12,15,28-triazahexacyclo[15.11.0.04,13.05,10.019,27.020,25]octacosa-1(17),5,7,9,11,15,18,20,22,24,27-undecaene (PubChem CID 167249652) has the molecular formula C30H27N3O and a molecular weight of 445.57 g/mol. Its IUPAC name is 11-ethenyl-16,21,24-trimethyl-14-methylidene-26-oxa-12,15,28-triazahexacyclo[15.11.0.04,13.05,10.019,27.020,25]octacosa-1(17),5,7,9,11,15,18,20,22,24,27-undecaene.

Molecular Properties

Compound Name11-ethenyl-16,21,24-trimethyl-14-methylidene-26-oxa-12,15,28-triazahexacyclo[15.11.0.04,13.05,10.019,27.020,25]octacosa-1(17),5,7,9,11,15,18,20,22,24,27-undecaene
PubChem CID167249652
Molecular FormulaC30H27N3O
Molecular Weight445.57 g/mol
Exact Mass445.22
IUPAC Name11-ethenyl-16,21,24-trimethyl-14-methylidene-26-oxa-12,15,28-triazahexacyclo[15.11.0.04,13.05,10.019,27.020,25]octacosa-1(17),5,7,9,11,15,18,20,22,24,27-undecaene
SMILESC=CC1=NC2C(=C)/N=C(/C)c3cc4c(nc3CCC2c2ccccc21)oc1c(C)ccc(C)c14
InChIInChI=1S/C30H27N3O/c1-6-25-21-10-8-7-9-20(21)22-13-14-26-23(18(4)31-19(5)28(22)32-25)15-24-27-16(2)11-12-17(3)29(27)34-30(24)33-26/h6-12,15,22,28H,1,5,13-14H2,2-4H3/b31-18-
InChIKeyGRAVZBIIWDIDSJ-MNBJERMJSA-N
XLogP7.01
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-ethenyl-16,21,24-trimethyl-14-methylidene-26-oxa-12,15,28-triazahexacyclo[15.11.0.04,13.05,10.019,27.020,25]octacosa-1(17),5,7,9,11,15,18,20,22,24,27-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-ethenyl-16,21,24-trimethyl-14-methylidene-26-oxa-12,15,28-triazahexacyclo[15.11.0.04,13.05,10.019,27.020,25]octacosa-1(17),5,7,9,11,15,18,20,22,24,27-undecaene?
The IUPAC name of 11-ethenyl-16,21,24-trimethyl-14-methylidene-26-oxa-12,15,28-triazahexacyclo[15.11.0.04,13.05,10.019,27.020,25]octacosa-1(17),5,7,9,11,15,18,20,22,24,27-undecaene (CID 167249652) is 11-ethenyl-16,21,24-trimethyl-14-methylidene-26-oxa-12,15,28-triazahexacyclo[15.11.0.04,13.05,10.019,27.020,25]octacosa-1(17),5,7,9,11,15,18,20,22,24,27-undecaene.
What is the SMILES notation for 11-ethenyl-16,21,24-trimethyl-14-methylidene-26-oxa-12,15,28-triazahexacyclo[15.11.0.04,13.05,10.019,27.020,25]octacosa-1(17),5,7,9,11,15,18,20,22,24,27-undecaene?
The canonical SMILES for 11-ethenyl-16,21,24-trimethyl-14-methylidene-26-oxa-12,15,28-triazahexacyclo[15.11.0.04,13.05,10.019,27.020,25]octacosa-1(17),5,7,9,11,15,18,20,22,24,27-undecaene is C=CC1=NC2C(=C)/N=C(/C)c3cc4c(nc3CCC2c2ccccc21)oc1c(C)ccc(C)c14.
What is the InChIKey of 11-ethenyl-16,21,24-trimethyl-14-methylidene-26-oxa-12,15,28-triazahexacyclo[15.11.0.04,13.05,10.019,27.020,25]octacosa-1(17),5,7,9,11,15,18,20,22,24,27-undecaene?
The InChIKey is GRAVZBIIWDIDSJ-MNBJERMJSA-N. The full InChI is InChI=1S/C30H27N3O/c1-6-25-21-10-8-7-9-20(21)22-13-14-26-23(18(4)31-19(5)28(22)32-25)15-24-27-16(2)11-12-17(3)29(27)34-30(24)33-26/h6-12,15,22,28H,1,5,13-14H2,2-4H3/b31-18-.
What are the key properties of 11-ethenyl-16,21,24-trimethyl-14-methylidene-26-oxa-12,15,28-triazahexacyclo[15.11.0.04,13.05,10.019,27.020,25]octacosa-1(17),5,7,9,11,15,18,20,22,24,27-undecaene?
11-ethenyl-16,21,24-trimethyl-14-methylidene-26-oxa-12,15,28-triazahexacyclo[15.11.0.04,13.05,10.019,27.020,25]octacosa-1(17),5,7,9,11,15,18,20,22,24,27-undecaene has a molecular weight of 445.57 g/mol, XLogP of 7.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethenyl-16,21,24-trimethyl-14-methylidene-26-oxa-12,15,28-triazahexacyclo[15.11.0.04,13.05,10.019,27.020,25]octacosa-1(17),5,7,9,11,15,18,20,22,24,27-undecaene is sourced from PubChem (CID 167249652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).