5,12,22,32-tetramethyl-19-oxa-1,8,14,30-tetrazanonacyclo[18.15.0.02,18.03,15.04,13.06,11.021,33.023,31.024,29]pentatriaconta-2(18),3(15),4(13),5,7,9,11,16,21,23(31),24,26,28,32-tetradecaene

C34H28N4O — CID 102599342

About 5,12,22,32-tetramethyl-19-oxa-1,8,14,30-tetrazanonacyclo[18.15.0.02,18.03,15.04,13.06,11.021,33.023,31.024,29]pentatriaconta-2(18),3(15),4(13),5,7,9,11,16,21,23(31),24,26,28,32-tetradecaene

5,12,22,32-tetramethyl-19-oxa-1,8,14,30-tetrazanonacyclo[18.15.0.02,18.03,15.04,13.06,11.021,33.023,31.024,29]pentatriaconta-2(18),3(15),4(13),5,7,9,11,16,21,23(31),24,26,28,32-tetradecaene (PubChem CID 102599342) has the molecular formula C34H28N4O and a molecular weight of 508.63 g/mol. Its IUPAC name is 5,12,22,32-tetramethyl-19-oxa-1,8,14,30-tetrazanonacyclo[18.15.0.02,18.03,15.04,13.06,11.021,33.023,31.024,29]pentatriaconta-2(18),3(15),4(13),5,7,9,11,16,21,23(31),24,26,28,32-tetradecaene.

Molecular Properties

• Compound Name: 5,12,22,32-tetramethyl-19-oxa-1,8,14,30-tetrazanonacyclo[18.15.0.02,18.03,15.04,13.06,11.021,33.023,31.024,29]pentatriaconta-2(18),3(15),4(13),5,7,9,11,16,21,23(31),24,26,28,32-tetradecaene
• PubChem CID: 102599342
• Molecular Formula: C34H28N4O
• Molecular Weight: 508.63 g/mol
• Exact Mass: 508.23
• IUPAC Name: 5,12,22,32-tetramethyl-19-oxa-1,8,14,30-tetrazanonacyclo[18.15.0.02,18.03,15.04,13.06,11.021,33.023,31.024,29]pentatriaconta-2(18),3(15),4(13),5,7,9,11,16,21,23(31),24,26,28,32-tetradecaene
• SMILES: Cc1c2c(c(C)c3c1[nH]c1ccccc13)C1Oc3ccc4[nH]c5c(C)c6ccncc6c(C)c5c4c3N1CC2
• InChI: InChI=1S/C34H28N4O/c1-16-23-15-35-13-11-20(23)17(2)32-29(16)30-25(37-32)9-10-26-33(30)38-14-12-21-18(3)31-27(19(4)28(21)34(38)39-26)22-7-5-6-8-24(22)36-31/h5-11,13,15,34,36-37H,12,14H2,1-4H3
• InChIKey: CJTKLUICMHIFCG-UHFFFAOYSA-N
• XLogP: 8.19
• TPSA: 56.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.63
LogP ≤ 5	8.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5,12,22,32-tetramethyl-19-oxa-1,8,14,30-tetrazanonacyclo[18.15.0.02,18.03,15.04,13.06,11.021,33.023,31.024,29]pentatriaconta-2(18),3(15),4(13),5,7,9,11,16,21,23(31),24,26,28,32-tetradecaene?

The IUPAC name of 5,12,22,32-tetramethyl-19-oxa-1,8,14,30-tetrazanonacyclo[18.15.0.02,18.03,15.04,13.06,11.021,33.023,31.024,29]pentatriaconta-2(18),3(15),4(13),5,7,9,11,16,21,23(31),24,26,28,32-tetradecaene (CID 102599342) is 5,12,22,32-tetramethyl-19-oxa-1,8,14,30-tetrazanonacyclo[18.15.0.02,18.03,15.04,13.06,11.021,33.023,31.024,29]pentatriaconta-2(18),3(15),4(13),5,7,9,11,16,21,23(31),24,26,28,32-tetradecaene.

What is the SMILES notation for 5,12,22,32-tetramethyl-19-oxa-1,8,14,30-tetrazanonacyclo[18.15.0.02,18.03,15.04,13.06,11.021,33.023,31.024,29]pentatriaconta-2(18),3(15),4(13),5,7,9,11,16,21,23(31),24,26,28,32-tetradecaene?

The canonical SMILES for 5,12,22,32-tetramethyl-19-oxa-1,8,14,30-tetrazanonacyclo[18.15.0.02,18.03,15.04,13.06,11.021,33.023,31.024,29]pentatriaconta-2(18),3(15),4(13),5,7,9,11,16,21,23(31),24,26,28,32-tetradecaene is Cc1c2c(c(C)c3c1[nH]c1ccccc13)C1Oc3ccc4[nH]c5c(C)c6ccncc6c(C)c5c4c3N1CC2.

What is the InChIKey of 5,12,22,32-tetramethyl-19-oxa-1,8,14,30-tetrazanonacyclo[18.15.0.02,18.03,15.04,13.06,11.021,33.023,31.024,29]pentatriaconta-2(18),3(15),4(13),5,7,9,11,16,21,23(31),24,26,28,32-tetradecaene?

The InChIKey is CJTKLUICMHIFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N4O/c1-16-23-15-35-13-11-20(23)17(2)32-29(16)30-25(37-32)9-10-26-33(30)38-14-12-21-18(3)31-27(19(4)28(21)34(38)39-26)22-7-5-6-8-24(22)36-31/h5-11,13,15,34,36-37H,12,14H2,1-4H3.

What are the key properties of 5,12,22,32-tetramethyl-19-oxa-1,8,14,30-tetrazanonacyclo[18.15.0.02,18.03,15.04,13.06,11.021,33.023,31.024,29]pentatriaconta-2(18),3(15),4(13),5,7,9,11,16,21,23(31),24,26,28,32-tetradecaene?

5,12,22,32-tetramethyl-19-oxa-1,8,14,30-tetrazanonacyclo[18.15.0.02,18.03,15.04,13.06,11.021,33.023,31.024,29]pentatriaconta-2(18),3(15),4(13),5,7,9,11,16,21,23(31),24,26,28,32-tetradecaene has a molecular weight of 508.63 g/mol, XLogP of 8.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5,12,22,32-tetramethyl-19-oxa-1,8,14,30-tetrazanonacyclo[18.15.0.02,18.03,15.04,13.06,11.021,33.023,31.024,29]pentatriaconta-2(18),3(15),4(13),5,7,9,11,16,21,23(31),24,26,28,32-tetradecaene is sourced from PubChem (CID 102599342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).