5-[4-[3-phenyl-4-(2-phenylphenyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene

C51H32N2O — CID 129128241

About 5-[4-[3-phenyl-4-(2-phenylphenyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene

5-[4-[3-phenyl-4-(2-phenylphenyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene (PubChem CID 129128241) has the molecular formula C51H32N2O and a molecular weight of 688.83 g/mol. Its IUPAC name is 5-[4-[3-phenyl-4-(2-phenylphenyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene.

Molecular Properties

• Compound Name: 5-[4-[3-phenyl-4-(2-phenylphenyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
• PubChem CID: 129128241
• Molecular Formula: C51H32N2O
• Molecular Weight: 688.83 g/mol
• Exact Mass: 688.25
• IUPAC Name: 5-[4-[3-phenyl-4-(2-phenylphenyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
• SMILES: c1ccc(-c2ccccc2-c2ccc(-c3ccc(-c4ccc5oc6c7ccccc7c7nc8ccccc8n7c6c5c4)cc3)cc2-c2ccccc2)cc1
• InChI: InChI=1S/C51H32N2O/c1-3-13-35(14-4-1)39-17-7-8-18-40(39)41-29-27-37(31-44(41)36-15-5-2-6-16-36)33-23-25-34(26-24-33)38-28-30-48-45(32-38)49-50(54-48)42-19-9-10-20-43(42)51-52-46-21-11-12-22-47(46)53(49)51/h1-32H
• InChIKey: GOKSDOHMZJSVJV-UHFFFAOYSA-N
• XLogP: 13.88
• TPSA: 30.44 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	688.83
LogP ≤ 5	13.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-phenyl-4-(2-phenylphenyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene?

The IUPAC name of 5-[4-[3-phenyl-4-(2-phenylphenyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene (CID 129128241) is 5-[4-[3-phenyl-4-(2-phenylphenyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene.

What is the SMILES notation for 5-[4-[3-phenyl-4-(2-phenylphenyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene?

The canonical SMILES for 5-[4-[3-phenyl-4-(2-phenylphenyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene is c1ccc(-c2ccccc2-c2ccc(-c3ccc(-c4ccc5oc6c7ccccc7c7nc8ccccc8n7c6c5c4)cc3)cc2-c2ccccc2)cc1.

What is the InChIKey of 5-[4-[3-phenyl-4-(2-phenylphenyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene?

The InChIKey is GOKSDOHMZJSVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O/c1-3-13-35(14-4-1)39-17-7-8-18-40(39)41-29-27-37(31-44(41)36-15-5-2-6-16-36)33-23-25-34(26-24-33)38-28-30-48-45(32-38)49-50(54-48)42-19-9-10-20-43(42)51-52-46-21-11-12-22-47(46)53(49)51/h1-32H.

What are the key properties of 5-[4-[3-phenyl-4-(2-phenylphenyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene?

5-[4-[3-phenyl-4-(2-phenylphenyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene has a molecular weight of 688.83 g/mol, XLogP of 13.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[3-phenyl-4-(2-phenylphenyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene is sourced from PubChem (CID 129128241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).