36-methyl-7,24,36-triazanonacyclo[28.2.2.12,6.114,17.125,29.07,15.08,13.016,24.018,23]heptatriaconta-1(32),2(37),3,5,8,10,12,14,16,18,20,22,25,27,29(35),30,33-heptadecaene

C35H23N3 — CID 129304176

IUPAC36-methyl-7,24,36-triazanonacyclo[28.2.2.12,6.114,17.125,29.07,15.08,13.016,24.018,23]heptatriaconta-1(32),2(37),3,5,8,10,12,14,16,18,20,22,25,27,29(35),30,33-heptadecaene
SMILESCn1c2c3ccccc3n3c4cccc(c4)c4ccc(cc4)c4cccc(c4)n4c5ccccc5c1c4c23
InChIInChI=1S/C35H23N3/c1-36-32-28-12-2-4-14-30(28)37-26-10-6-8-24(20-26)22-16-18-23(19-17-22)25-9-7-11-27(21-25)38-31-15-5-3-13-29(31)33(36)35(38)34(32)37/h2-21H,1H3
InChIKeyFOWSITZVSUGKBQ-UHFFFAOYSA-N
MW485.59 g/mol
LogP9.01
Rot. Bonds

About 36-methyl-7,24,36-triazanonacyclo[28.2.2.12,6.114,17.125,29.07,15.08,13.016,24.018,23]heptatriaconta-1(32),2(37),3,5,8,10,12,14,16,18,20,22,25,27,29(35),30,33-heptadecaene

36-methyl-7,24,36-triazanonacyclo[28.2.2.12,6.114,17.125,29.07,15.08,13.016,24.018,23]heptatriaconta-1(32),2(37),3,5,8,10,12,14,16,18,20,22,25,27,29(35),30,33-heptadecaene (PubChem CID 129304176) has the molecular formula C35H23N3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 36-methyl-7,24,36-triazanonacyclo[28.2.2.12,6.114,17.125,29.07,15.08,13.016,24.018,23]heptatriaconta-1(32),2(37),3,5,8,10,12,14,16,18,20,22,25,27,29(35),30,33-heptadecaene.

Molecular Properties

Compound Name36-methyl-7,24,36-triazanonacyclo[28.2.2.12,6.114,17.125,29.07,15.08,13.016,24.018,23]heptatriaconta-1(32),2(37),3,5,8,10,12,14,16,18,20,22,25,27,29(35),30,33-heptadecaene
PubChem CID129304176
Molecular FormulaC35H23N3
Molecular Weight485.59 g/mol
Exact Mass485.19
IUPAC Name36-methyl-7,24,36-triazanonacyclo[28.2.2.12,6.114,17.125,29.07,15.08,13.016,24.018,23]heptatriaconta-1(32),2(37),3,5,8,10,12,14,16,18,20,22,25,27,29(35),30,33-heptadecaene
SMILESCn1c2c3ccccc3n3c4cccc(c4)c4ccc(cc4)c4cccc(c4)n4c5ccccc5c1c4c23
InChIInChI=1S/C35H23N3/c1-36-32-28-12-2-4-14-30(28)37-26-10-6-8-24(20-26)22-16-18-23(19-17-22)25-9-7-11-27(21-25)38-31-15-5-3-13-29(31)33(36)35(38)34(32)37/h2-21H,1H3
InChIKeyFOWSITZVSUGKBQ-UHFFFAOYSA-N
XLogP9.01
TPSA13.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 36-methyl-7,24,36-triazanonacyclo[28.2.2.12,6.114,17.125,29.07,15.08,13.016,24.018,23]heptatriaconta-1(32),2(37),3,5,8,10,12,14,16,18,20,22,25,27,29(35),30,33-heptadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 36-methyl-7,24,36-triazanonacyclo[28.2.2.12,6.114,17.125,29.07,15.08,13.016,24.018,23]heptatriaconta-1(32),2(37),3,5,8,10,12,14,16,18,20,22,25,27,29(35),30,33-heptadecaene?
The IUPAC name of 36-methyl-7,24,36-triazanonacyclo[28.2.2.12,6.114,17.125,29.07,15.08,13.016,24.018,23]heptatriaconta-1(32),2(37),3,5,8,10,12,14,16,18,20,22,25,27,29(35),30,33-heptadecaene (CID 129304176) is 36-methyl-7,24,36-triazanonacyclo[28.2.2.12,6.114,17.125,29.07,15.08,13.016,24.018,23]heptatriaconta-1(32),2(37),3,5,8,10,12,14,16,18,20,22,25,27,29(35),30,33-heptadecaene.
What is the SMILES notation for 36-methyl-7,24,36-triazanonacyclo[28.2.2.12,6.114,17.125,29.07,15.08,13.016,24.018,23]heptatriaconta-1(32),2(37),3,5,8,10,12,14,16,18,20,22,25,27,29(35),30,33-heptadecaene?
The canonical SMILES for 36-methyl-7,24,36-triazanonacyclo[28.2.2.12,6.114,17.125,29.07,15.08,13.016,24.018,23]heptatriaconta-1(32),2(37),3,5,8,10,12,14,16,18,20,22,25,27,29(35),30,33-heptadecaene is Cn1c2c3ccccc3n3c4cccc(c4)c4ccc(cc4)c4cccc(c4)n4c5ccccc5c1c4c23.
What is the InChIKey of 36-methyl-7,24,36-triazanonacyclo[28.2.2.12,6.114,17.125,29.07,15.08,13.016,24.018,23]heptatriaconta-1(32),2(37),3,5,8,10,12,14,16,18,20,22,25,27,29(35),30,33-heptadecaene?
The InChIKey is FOWSITZVSUGKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3/c1-36-32-28-12-2-4-14-30(28)37-26-10-6-8-24(20-26)22-16-18-23(19-17-22)25-9-7-11-27(21-25)38-31-15-5-3-13-29(31)33(36)35(38)34(32)37/h2-21H,1H3.
What are the key properties of 36-methyl-7,24,36-triazanonacyclo[28.2.2.12,6.114,17.125,29.07,15.08,13.016,24.018,23]heptatriaconta-1(32),2(37),3,5,8,10,12,14,16,18,20,22,25,27,29(35),30,33-heptadecaene?
36-methyl-7,24,36-triazanonacyclo[28.2.2.12,6.114,17.125,29.07,15.08,13.016,24.018,23]heptatriaconta-1(32),2(37),3,5,8,10,12,14,16,18,20,22,25,27,29(35),30,33-heptadecaene has a molecular weight of 485.59 g/mol, XLogP of 9.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 36-methyl-7,24,36-triazanonacyclo[28.2.2.12,6.114,17.125,29.07,15.08,13.016,24.018,23]heptatriaconta-1(32),2(37),3,5,8,10,12,14,16,18,20,22,25,27,29(35),30,33-heptadecaene is sourced from PubChem (CID 129304176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).