7,8,14,19,25,26-hexamethyl-9,11,13,20,22,24-hexazanonacyclo[16.12.0.02,15.03,12.04,29.05,10.06,27.021,30.023,28]triaconta-1(30),2,4,6,8,10,12,15,17,20,22,24,26,28-tetradecaene

C30H22N6 — CID 161415340

IUPAC7,8,14,19,25,26-hexamethyl-9,11,13,20,22,24-hexazanonacyclo[16.12.0.02,15.03,12.04,29.05,10.06,27.021,30.023,28]triaconta-1(30),2,4,6,8,10,12,15,17,20,22,24,26,28-tetradecaene
SMILESCc1nc2nc3c4c5c(ccc6c5c5c(nc7nc(C)c(C)c8c(c1C)c2c4c5c78)=NC6C)C(C)N=3
InChIInChI=1S/C30H22N6/c1-9-11(3)31-27-23-17(9)18-10(2)12(4)32-28-24(18)22-21(23)25-19-15(13(5)33-29(25)35-27)7-8-16-14(6)34-30(36-28)26(22)20(16)19/h7-8,13-14H,1-6H3
InChIKeyLGXTZKMBOQNXEC-UHFFFAOYSA-N
MW466.55 g/mol
LogP5.68
Rot. Bonds

About 7,8,14,19,25,26-hexamethyl-9,11,13,20,22,24-hexazanonacyclo[16.12.0.02,15.03,12.04,29.05,10.06,27.021,30.023,28]triaconta-1(30),2,4,6,8,10,12,15,17,20,22,24,26,28-tetradecaene

7,8,14,19,25,26-hexamethyl-9,11,13,20,22,24-hexazanonacyclo[16.12.0.02,15.03,12.04,29.05,10.06,27.021,30.023,28]triaconta-1(30),2,4,6,8,10,12,15,17,20,22,24,26,28-tetradecaene (PubChem CID 161415340) has the molecular formula C30H22N6 and a molecular weight of 466.55 g/mol. Its IUPAC name is 7,8,14,19,25,26-hexamethyl-9,11,13,20,22,24-hexazanonacyclo[16.12.0.02,15.03,12.04,29.05,10.06,27.021,30.023,28]triaconta-1(30),2,4,6,8,10,12,15,17,20,22,24,26,28-tetradecaene.

Molecular Properties

Compound Name7,8,14,19,25,26-hexamethyl-9,11,13,20,22,24-hexazanonacyclo[16.12.0.02,15.03,12.04,29.05,10.06,27.021,30.023,28]triaconta-1(30),2,4,6,8,10,12,15,17,20,22,24,26,28-tetradecaene
PubChem CID161415340
Molecular FormulaC30H22N6
Molecular Weight466.55 g/mol
Exact Mass466.19
IUPAC Name7,8,14,19,25,26-hexamethyl-9,11,13,20,22,24-hexazanonacyclo[16.12.0.02,15.03,12.04,29.05,10.06,27.021,30.023,28]triaconta-1(30),2,4,6,8,10,12,15,17,20,22,24,26,28-tetradecaene
SMILESCc1nc2nc3c4c5c(ccc6c5c5c(nc7nc(C)c(C)c8c(c1C)c2c4c5c78)=NC6C)C(C)N=3
InChIInChI=1S/C30H22N6/c1-9-11(3)31-27-23-17(9)18-10(2)12(4)32-28-24(18)22-21(23)25-19-15(13(5)33-29(25)35-27)7-8-16-14(6)34-30(36-28)26(22)20(16)19/h7-8,13-14H,1-6H3
InChIKeyLGXTZKMBOQNXEC-UHFFFAOYSA-N
XLogP5.68
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.55
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7,8,14,19,25,26-hexamethyl-9,11,13,20,22,24-hexazanonacyclo[16.12.0.02,15.03,12.04,29.05,10.06,27.021,30.023,28]triaconta-1(30),2,4,6,8,10,12,15,17,20,22,24,26,28-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,8,14,19,25,26-hexamethyl-9,11,13,20,22,24-hexazanonacyclo[16.12.0.02,15.03,12.04,29.05,10.06,27.021,30.023,28]triaconta-1(30),2,4,6,8,10,12,15,17,20,22,24,26,28-tetradecaene?
The IUPAC name of 7,8,14,19,25,26-hexamethyl-9,11,13,20,22,24-hexazanonacyclo[16.12.0.02,15.03,12.04,29.05,10.06,27.021,30.023,28]triaconta-1(30),2,4,6,8,10,12,15,17,20,22,24,26,28-tetradecaene (CID 161415340) is 7,8,14,19,25,26-hexamethyl-9,11,13,20,22,24-hexazanonacyclo[16.12.0.02,15.03,12.04,29.05,10.06,27.021,30.023,28]triaconta-1(30),2,4,6,8,10,12,15,17,20,22,24,26,28-tetradecaene.
What is the SMILES notation for 7,8,14,19,25,26-hexamethyl-9,11,13,20,22,24-hexazanonacyclo[16.12.0.02,15.03,12.04,29.05,10.06,27.021,30.023,28]triaconta-1(30),2,4,6,8,10,12,15,17,20,22,24,26,28-tetradecaene?
The canonical SMILES for 7,8,14,19,25,26-hexamethyl-9,11,13,20,22,24-hexazanonacyclo[16.12.0.02,15.03,12.04,29.05,10.06,27.021,30.023,28]triaconta-1(30),2,4,6,8,10,12,15,17,20,22,24,26,28-tetradecaene is Cc1nc2nc3c4c5c(ccc6c5c5c(nc7nc(C)c(C)c8c(c1C)c2c4c5c78)=NC6C)C(C)N=3.
What is the InChIKey of 7,8,14,19,25,26-hexamethyl-9,11,13,20,22,24-hexazanonacyclo[16.12.0.02,15.03,12.04,29.05,10.06,27.021,30.023,28]triaconta-1(30),2,4,6,8,10,12,15,17,20,22,24,26,28-tetradecaene?
The InChIKey is LGXTZKMBOQNXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N6/c1-9-11(3)31-27-23-17(9)18-10(2)12(4)32-28-24(18)22-21(23)25-19-15(13(5)33-29(25)35-27)7-8-16-14(6)34-30(36-28)26(22)20(16)19/h7-8,13-14H,1-6H3.
What are the key properties of 7,8,14,19,25,26-hexamethyl-9,11,13,20,22,24-hexazanonacyclo[16.12.0.02,15.03,12.04,29.05,10.06,27.021,30.023,28]triaconta-1(30),2,4,6,8,10,12,15,17,20,22,24,26,28-tetradecaene?
7,8,14,19,25,26-hexamethyl-9,11,13,20,22,24-hexazanonacyclo[16.12.0.02,15.03,12.04,29.05,10.06,27.021,30.023,28]triaconta-1(30),2,4,6,8,10,12,15,17,20,22,24,26,28-tetradecaene has a molecular weight of 466.55 g/mol, XLogP of 5.68, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,14,19,25,26-hexamethyl-9,11,13,20,22,24-hexazanonacyclo[16.12.0.02,15.03,12.04,29.05,10.06,27.021,30.023,28]triaconta-1(30),2,4,6,8,10,12,15,17,20,22,24,26,28-tetradecaene is sourced from PubChem (CID 161415340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).