2-[6-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-2-yl]-18-oxa-2-azahexacyclo[13.11.0.03,12.04,9.017,25.019,24]hexacosa-1(26),3(12),4,6,8,10,13,15,17(25),20,22-undecaene

C34H27N3O — CID 129311815

IUPAC2-[6-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-2-yl]-18-oxa-2-azahexacyclo[13.11.0.03,12.04,9.017,25.019,24]hexacosa-1(26),3(12),4,6,8,10,13,15,17(25),20,22-undecaene
SMILESC1=CNC(C2=CC=CC(N3c4cc5c(cc4C=Cc4ccc6ccccc6c43)OC3C=CC=CC53)N2)C=C1
InChIInChI=1S/C34H27N3O/c1-2-9-25-22(8-1)15-16-23-17-18-24-20-32-27(26-10-3-4-13-31(26)38-32)21-30(24)37(34(23)25)33-14-7-12-29(36-33)28-11-5-6-19-35-28/h1-21,26,28,31,33,35-36H
InChIKeyKHLHTZWJZSZVTC-UHFFFAOYSA-N
MW493.61 g/mol
LogP6.84
Rot. Bonds2

About 2-[6-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-2-yl]-18-oxa-2-azahexacyclo[13.11.0.03,12.04,9.017,25.019,24]hexacosa-1(26),3(12),4,6,8,10,13,15,17(25),20,22-undecaene

2-[6-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-2-yl]-18-oxa-2-azahexacyclo[13.11.0.03,12.04,9.017,25.019,24]hexacosa-1(26),3(12),4,6,8,10,13,15,17(25),20,22-undecaene (PubChem CID 129311815) has the molecular formula C34H27N3O and a molecular weight of 493.61 g/mol. Its IUPAC name is 2-[6-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-2-yl]-18-oxa-2-azahexacyclo[13.11.0.03,12.04,9.017,25.019,24]hexacosa-1(26),3(12),4,6,8,10,13,15,17(25),20,22-undecaene.

Molecular Properties

Compound Name2-[6-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-2-yl]-18-oxa-2-azahexacyclo[13.11.0.03,12.04,9.017,25.019,24]hexacosa-1(26),3(12),4,6,8,10,13,15,17(25),20,22-undecaene
PubChem CID129311815
Molecular FormulaC34H27N3O
Molecular Weight493.61 g/mol
Exact Mass493.22
IUPAC Name2-[6-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-2-yl]-18-oxa-2-azahexacyclo[13.11.0.03,12.04,9.017,25.019,24]hexacosa-1(26),3(12),4,6,8,10,13,15,17(25),20,22-undecaene
SMILESC1=CNC(C2=CC=CC(N3c4cc5c(cc4C=Cc4ccc6ccccc6c43)OC3C=CC=CC53)N2)C=C1
InChIInChI=1S/C34H27N3O/c1-2-9-25-22(8-1)15-16-23-17-18-24-20-32-27(26-10-3-4-13-31(26)38-32)21-30(24)37(34(23)25)33-14-7-12-29(36-33)28-11-5-6-19-35-28/h1-21,26,28,31,33,35-36H
InChIKeyKHLHTZWJZSZVTC-UHFFFAOYSA-N
XLogP6.84
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.61
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-2-yl]-18-oxa-2-azahexacyclo[13.11.0.03,12.04,9.017,25.019,24]hexacosa-1(26),3(12),4,6,8,10,13,15,17(25),20,22-undecaene?
The IUPAC name of 2-[6-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-2-yl]-18-oxa-2-azahexacyclo[13.11.0.03,12.04,9.017,25.019,24]hexacosa-1(26),3(12),4,6,8,10,13,15,17(25),20,22-undecaene (CID 129311815) is 2-[6-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-2-yl]-18-oxa-2-azahexacyclo[13.11.0.03,12.04,9.017,25.019,24]hexacosa-1(26),3(12),4,6,8,10,13,15,17(25),20,22-undecaene.
What is the SMILES notation for 2-[6-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-2-yl]-18-oxa-2-azahexacyclo[13.11.0.03,12.04,9.017,25.019,24]hexacosa-1(26),3(12),4,6,8,10,13,15,17(25),20,22-undecaene?
The canonical SMILES for 2-[6-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-2-yl]-18-oxa-2-azahexacyclo[13.11.0.03,12.04,9.017,25.019,24]hexacosa-1(26),3(12),4,6,8,10,13,15,17(25),20,22-undecaene is C1=CNC(C2=CC=CC(N3c4cc5c(cc4C=Cc4ccc6ccccc6c43)OC3C=CC=CC53)N2)C=C1.
What is the InChIKey of 2-[6-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-2-yl]-18-oxa-2-azahexacyclo[13.11.0.03,12.04,9.017,25.019,24]hexacosa-1(26),3(12),4,6,8,10,13,15,17(25),20,22-undecaene?
The InChIKey is KHLHTZWJZSZVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N3O/c1-2-9-25-22(8-1)15-16-23-17-18-24-20-32-27(26-10-3-4-13-31(26)38-32)21-30(24)37(34(23)25)33-14-7-12-29(36-33)28-11-5-6-19-35-28/h1-21,26,28,31,33,35-36H.
What are the key properties of 2-[6-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-2-yl]-18-oxa-2-azahexacyclo[13.11.0.03,12.04,9.017,25.019,24]hexacosa-1(26),3(12),4,6,8,10,13,15,17(25),20,22-undecaene?
2-[6-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-2-yl]-18-oxa-2-azahexacyclo[13.11.0.03,12.04,9.017,25.019,24]hexacosa-1(26),3(12),4,6,8,10,13,15,17(25),20,22-undecaene has a molecular weight of 493.61 g/mol, XLogP of 6.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-2-yl]-18-oxa-2-azahexacyclo[13.11.0.03,12.04,9.017,25.019,24]hexacosa-1(26),3(12),4,6,8,10,13,15,17(25),20,22-undecaene is sourced from PubChem (CID 129311815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).