3-[4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-18-yl)phenyl]pyridine

C35H19NO3 — CID 138651410

About 3-[4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-18-yl)phenyl]pyridine

3-[4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-18-yl)phenyl]pyridine (PubChem CID 138651410) has the molecular formula C35H19NO3 and a molecular weight of 501.54 g/mol. Its IUPAC name is 3-[4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-18-yl)phenyl]pyridine.

Molecular Properties

• Compound Name: 3-[4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-18-yl)phenyl]pyridine
• PubChem CID: 138651410
• Molecular Formula: C35H19NO3
• Molecular Weight: 501.54 g/mol
• Exact Mass: 501.14
• IUPAC Name: 3-[4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-18-yl)phenyl]pyridine
• SMILES: c1cncc(-c2ccc(-c3cc4oc5ccc6oc7ccccc7c6c5c4c4oc5ccccc5c34)cc2)c1
• InChI: InChI=1S/C35H19NO3/c1-4-10-27-23(7-1)31-25(21-13-11-20(12-14-21)22-6-5-17-36-19-22)18-30-34(35(31)39-27)33-29(38-30)16-15-28-32(33)24-8-2-3-9-26(24)37-28/h1-19H
• InChIKey: UMMJOUDIVNFUIQ-UHFFFAOYSA-N
• XLogP: 10.11
• TPSA: 52.31 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.54
LogP ≤ 5	10.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-18-yl)phenyl]pyridine?

The IUPAC name of 3-[4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-18-yl)phenyl]pyridine (CID 138651410) is 3-[4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-18-yl)phenyl]pyridine.

What is the SMILES notation for 3-[4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-18-yl)phenyl]pyridine?

The canonical SMILES for 3-[4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-18-yl)phenyl]pyridine is c1cncc(-c2ccc(-c3cc4oc5ccc6oc7ccccc7c6c5c4c4oc5ccccc5c34)cc2)c1.

What is the InChIKey of 3-[4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-18-yl)phenyl]pyridine?

The InChIKey is UMMJOUDIVNFUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H19NO3/c1-4-10-27-23(7-1)31-25(21-13-11-20(12-14-21)22-6-5-17-36-19-22)18-30-34(35(31)39-27)33-29(38-30)16-15-28-32(33)24-8-2-3-9-26(24)37-28/h1-19H.

What are the key properties of 3-[4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-18-yl)phenyl]pyridine?

3-[4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-18-yl)phenyl]pyridine has a molecular weight of 501.54 g/mol, XLogP of 10.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-18-yl)phenyl]pyridine is sourced from PubChem (CID 138651410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).