3-[(Z)-2-[16-[(Z)-2-pyridin-3-ylethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]pyridine

C35H24N2O2 — CID 162498627

About 3-[(Z)-2-[16-[(Z)-2-pyridin-3-ylethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]pyridine

3-[(Z)-2-[16-[(Z)-2-pyridin-3-ylethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]pyridine (PubChem CID 162498627) has the molecular formula C35H24N2O2 and a molecular weight of 504.59 g/mol. Its IUPAC name is 3-[(Z)-2-[16-[(Z)-2-pyridin-3-ylethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]pyridine.

Molecular Properties

• Compound Name: 3-[(Z)-2-[16-[(Z)-2-pyridin-3-ylethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]pyridine
• PubChem CID: 162498627
• Molecular Formula: C35H24N2O2
• Molecular Weight: 504.59 g/mol
• Exact Mass: 504.18
• IUPAC Name: 3-[(Z)-2-[16-[(Z)-2-pyridin-3-ylethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]pyridine
• SMILES: C(=C\c1cc2ccccc2c2c1OCOc1c(/C=C\c3cccnc3)cc3ccccc3c1-2)\c1cccnc1
• InChI: InChI=1S/C35H24N2O2/c1-3-11-30-26(9-1)19-28(15-13-24-7-5-17-36-21-24)34-32(30)33-31-12-4-2-10-27(31)20-29(35(33)39-23-38-34)16-14-25-8-6-18-37-22-25/h1-22H,23H2/b15-13-,16-14-
• InChIKey: AWOYBLOOQSLOOT-VMNXYWKNSA-N
• XLogP: 8.52
• TPSA: 44.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.59
LogP ≤ 5	8.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-[16-[(Z)-2-pyridin-3-ylethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]pyridine?

The IUPAC name of 3-[(Z)-2-[16-[(Z)-2-pyridin-3-ylethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]pyridine (CID 162498627) is 3-[(Z)-2-[16-[(Z)-2-pyridin-3-ylethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]pyridine.

What is the SMILES notation for 3-[(Z)-2-[16-[(Z)-2-pyridin-3-ylethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]pyridine?

The canonical SMILES for 3-[(Z)-2-[16-[(Z)-2-pyridin-3-ylethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]pyridine is C(=C\c1cc2ccccc2c2c1OCOc1c(/C=C\c3cccnc3)cc3ccccc3c1-2)\c1cccnc1.

What is the InChIKey of 3-[(Z)-2-[16-[(Z)-2-pyridin-3-ylethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]pyridine?

The InChIKey is AWOYBLOOQSLOOT-VMNXYWKNSA-N. The full InChI is InChI=1S/C35H24N2O2/c1-3-11-30-26(9-1)19-28(15-13-24-7-5-17-36-21-24)34-32(30)33-31-12-4-2-10-27(31)20-29(35(33)39-23-38-34)16-14-25-8-6-18-37-22-25/h1-22H,23H2/b15-13-,16-14-.

What are the key properties of 3-[(Z)-2-[16-[(Z)-2-pyridin-3-ylethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]pyridine?

3-[(Z)-2-[16-[(Z)-2-pyridin-3-ylethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]pyridine has a molecular weight of 504.59 g/mol, XLogP of 8.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(Z)-2-[16-[(Z)-2-pyridin-3-ylethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]pyridine is sourced from PubChem (CID 162498627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).