7,8,17,18,27,28-hexamethyl-3,5,13,15,23,25-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene

C30H24N6 — CID 91553074

IUPAC7,8,17,18,27,28-hexamethyl-3,5,13,15,23,25-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene
SMILESCc1cnc2nc3c4cc5c(C)c(C)cnc5nc4c4cc5c(C)c(C)cnc5nc4c3cc2c1C
InChIInChI=1S/C30H24N6/c1-13-10-31-28-19(16(13)4)7-22-25(34-28)23-8-20-17(5)15(3)12-33-30(20)36-27(23)24-9-21-18(6)14(2)11-32-29(21)35-26(22)24/h7-12H,1-6H3
InChIKeyFJYFVTDYZHBFEG-UHFFFAOYSA-N
MW468.56 g/mol
LogP6.83
Rot. Bonds

About 7,8,17,18,27,28-hexamethyl-3,5,13,15,23,25-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene

7,8,17,18,27,28-hexamethyl-3,5,13,15,23,25-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene (PubChem CID 91553074) has the molecular formula C30H24N6 and a molecular weight of 468.56 g/mol. Its IUPAC name is 7,8,17,18,27,28-hexamethyl-3,5,13,15,23,25-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene.

Molecular Properties

Compound Name7,8,17,18,27,28-hexamethyl-3,5,13,15,23,25-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene
PubChem CID91553074
Molecular FormulaC30H24N6
Molecular Weight468.56 g/mol
Exact Mass468.21
IUPAC Name7,8,17,18,27,28-hexamethyl-3,5,13,15,23,25-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene
SMILESCc1cnc2nc3c4cc5c(C)c(C)cnc5nc4c4cc5c(C)c(C)cnc5nc4c3cc2c1C
InChIInChI=1S/C30H24N6/c1-13-10-31-28-19(16(13)4)7-22-25(34-28)23-8-20-17(5)15(3)12-33-30(20)36-27(23)24-9-21-18(6)14(2)11-32-29(21)35-26(22)24/h7-12H,1-6H3
InChIKeyFJYFVTDYZHBFEG-UHFFFAOYSA-N
XLogP6.83
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 56.83
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 7,8,17,18,27,28-hexamethyl-3,5,13,15,23,25-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene with MolForge

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Related Compounds

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2-chloro-6,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine
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CID 174963511

Frequently Asked Questions

What is the IUPAC name of 7,8,17,18,27,28-hexamethyl-3,5,13,15,23,25-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene?
The IUPAC name of 7,8,17,18,27,28-hexamethyl-3,5,13,15,23,25-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene (CID 91553074) is 7,8,17,18,27,28-hexamethyl-3,5,13,15,23,25-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene.
What is the SMILES notation for 7,8,17,18,27,28-hexamethyl-3,5,13,15,23,25-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene?
The canonical SMILES for 7,8,17,18,27,28-hexamethyl-3,5,13,15,23,25-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene is Cc1cnc2nc3c4cc5c(C)c(C)cnc5nc4c4cc5c(C)c(C)cnc5nc4c3cc2c1C.
What is the InChIKey of 7,8,17,18,27,28-hexamethyl-3,5,13,15,23,25-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene?
The InChIKey is FJYFVTDYZHBFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6/c1-13-10-31-28-19(16(13)4)7-22-25(34-28)23-8-20-17(5)15(3)12-33-30(20)36-27(23)24-9-21-18(6)14(2)11-32-29(21)35-26(22)24/h7-12H,1-6H3.
What are the key properties of 7,8,17,18,27,28-hexamethyl-3,5,13,15,23,25-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene?
7,8,17,18,27,28-hexamethyl-3,5,13,15,23,25-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene has a molecular weight of 468.56 g/mol, XLogP of 6.83, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,17,18,27,28-hexamethyl-3,5,13,15,23,25-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene is sourced from PubChem (CID 91553074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).