17,17,18-trimethyl-9,16-diazaheptacyclo[16.10.1.02,7.08,16.010,15.019,24.025,29]nonacosa-1(29),2,4,6,8,10,12,14,19,21,23,25,27-tridecaene

C30H24N2 — CID 164734267

IUPAC17,17,18-trimethyl-9,16-diazaheptacyclo[16.10.1.02,7.08,16.010,15.019,24.025,29]nonacosa-1(29),2,4,6,8,10,12,14,19,21,23,25,27-tridecaene
SMILESCC12c3ccccc3-c3cccc(c31)-c1ccccc1-c1nc3ccccc3n1C2(C)C
InChIInChI=1S/C30H24N2/c1-29(2)30(3)24-16-7-6-12-20(24)22-15-10-14-21(27(22)30)19-11-4-5-13-23(19)28-31-25-17-8-9-18-26(25)32(28)29/h4-18H,1-3H3
InChIKeyMSLXGPIZPZBSOL-UHFFFAOYSA-N
MW412.54 g/mol
LogP7.41
Rot. Bonds

About 17,17,18-trimethyl-9,16-diazaheptacyclo[16.10.1.02,7.08,16.010,15.019,24.025,29]nonacosa-1(29),2,4,6,8,10,12,14,19,21,23,25,27-tridecaene

17,17,18-trimethyl-9,16-diazaheptacyclo[16.10.1.02,7.08,16.010,15.019,24.025,29]nonacosa-1(29),2,4,6,8,10,12,14,19,21,23,25,27-tridecaene (PubChem CID 164734267) has the molecular formula C30H24N2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 17,17,18-trimethyl-9,16-diazaheptacyclo[16.10.1.02,7.08,16.010,15.019,24.025,29]nonacosa-1(29),2,4,6,8,10,12,14,19,21,23,25,27-tridecaene.

Molecular Properties

Compound Name17,17,18-trimethyl-9,16-diazaheptacyclo[16.10.1.02,7.08,16.010,15.019,24.025,29]nonacosa-1(29),2,4,6,8,10,12,14,19,21,23,25,27-tridecaene
PubChem CID164734267
Molecular FormulaC30H24N2
Molecular Weight412.54 g/mol
Exact Mass412.19
IUPAC Name17,17,18-trimethyl-9,16-diazaheptacyclo[16.10.1.02,7.08,16.010,15.019,24.025,29]nonacosa-1(29),2,4,6,8,10,12,14,19,21,23,25,27-tridecaene
SMILESCC12c3ccccc3-c3cccc(c31)-c1ccccc1-c1nc3ccccc3n1C2(C)C
InChIInChI=1S/C30H24N2/c1-29(2)30(3)24-16-7-6-12-20(24)22-15-10-14-21(27(22)30)19-11-4-5-13-23(19)28-31-25-17-8-9-18-26(25)32(28)29/h4-18H,1-3H3
InChIKeyMSLXGPIZPZBSOL-UHFFFAOYSA-N
XLogP7.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 17,17,18-trimethyl-9,16-diazaheptacyclo[16.10.1.02,7.08,16.010,15.019,24.025,29]nonacosa-1(29),2,4,6,8,10,12,14,19,21,23,25,27-tridecaene with MolForge

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Related Compounds

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CID 164734290
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Frequently Asked Questions

What is the IUPAC name of 17,17,18-trimethyl-9,16-diazaheptacyclo[16.10.1.02,7.08,16.010,15.019,24.025,29]nonacosa-1(29),2,4,6,8,10,12,14,19,21,23,25,27-tridecaene?
The IUPAC name of 17,17,18-trimethyl-9,16-diazaheptacyclo[16.10.1.02,7.08,16.010,15.019,24.025,29]nonacosa-1(29),2,4,6,8,10,12,14,19,21,23,25,27-tridecaene (CID 164734267) is 17,17,18-trimethyl-9,16-diazaheptacyclo[16.10.1.02,7.08,16.010,15.019,24.025,29]nonacosa-1(29),2,4,6,8,10,12,14,19,21,23,25,27-tridecaene.
What is the SMILES notation for 17,17,18-trimethyl-9,16-diazaheptacyclo[16.10.1.02,7.08,16.010,15.019,24.025,29]nonacosa-1(29),2,4,6,8,10,12,14,19,21,23,25,27-tridecaene?
The canonical SMILES for 17,17,18-trimethyl-9,16-diazaheptacyclo[16.10.1.02,7.08,16.010,15.019,24.025,29]nonacosa-1(29),2,4,6,8,10,12,14,19,21,23,25,27-tridecaene is CC12c3ccccc3-c3cccc(c31)-c1ccccc1-c1nc3ccccc3n1C2(C)C.
What is the InChIKey of 17,17,18-trimethyl-9,16-diazaheptacyclo[16.10.1.02,7.08,16.010,15.019,24.025,29]nonacosa-1(29),2,4,6,8,10,12,14,19,21,23,25,27-tridecaene?
The InChIKey is MSLXGPIZPZBSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2/c1-29(2)30(3)24-16-7-6-12-20(24)22-15-10-14-21(27(22)30)19-11-4-5-13-23(19)28-31-25-17-8-9-18-26(25)32(28)29/h4-18H,1-3H3.
What are the key properties of 17,17,18-trimethyl-9,16-diazaheptacyclo[16.10.1.02,7.08,16.010,15.019,24.025,29]nonacosa-1(29),2,4,6,8,10,12,14,19,21,23,25,27-tridecaene?
17,17,18-trimethyl-9,16-diazaheptacyclo[16.10.1.02,7.08,16.010,15.019,24.025,29]nonacosa-1(29),2,4,6,8,10,12,14,19,21,23,25,27-tridecaene has a molecular weight of 412.54 g/mol, XLogP of 7.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17,17,18-trimethyl-9,16-diazaheptacyclo[16.10.1.02,7.08,16.010,15.019,24.025,29]nonacosa-1(29),2,4,6,8,10,12,14,19,21,23,25,27-tridecaene is sourced from PubChem (CID 164734267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).