14-(9-phenylcarbazol-3-yl)-11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene

C64H39N5O — CID 138513509

About 14-(9-phenylcarbazol-3-yl)-11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene

14-(9-phenylcarbazol-3-yl)-11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene (PubChem CID 138513509) has the molecular formula C64H39N5O and a molecular weight of 894.05 g/mol. Its IUPAC name is 14-(9-phenylcarbazol-3-yl)-11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 14-(9-phenylcarbazol-3-yl)-11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
• PubChem CID: 138513509
• Molecular Formula: C64H39N5O
• Molecular Weight: 894.05 g/mol
• Exact Mass: 893.32
• IUPAC Name: 14-(9-phenylcarbazol-3-yl)-11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cc6c(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)nc7ccccc7c6c6c5oc5ccccc56)c4)n3)cc2)cc1
• InChI: InChI=1S/C64H39N5O/c1-4-17-40(18-5-1)41-31-33-43(34-32-41)63-66-62(42-19-6-2-7-20-42)67-64(68-63)46-22-16-21-44(37-46)51-39-53-58(59-50-27-12-15-30-57(50)70-61(51)59)49-26-10-13-28-54(49)65-60(53)45-35-36-56-52(38-45)48-25-11-14-29-55(48)69(56)47-23-8-3-9-24-47/h1-39H
• InChIKey: CGWPRUIINUXNSH-UHFFFAOYSA-N
• XLogP: 16.57
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	894.05
LogP ≤ 5	16.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 14-(9-phenylcarbazol-3-yl)-11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

The IUPAC name of 14-(9-phenylcarbazol-3-yl)-11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene (CID 138513509) is 14-(9-phenylcarbazol-3-yl)-11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene.

What is the SMILES notation for 14-(9-phenylcarbazol-3-yl)-11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

The canonical SMILES for 14-(9-phenylcarbazol-3-yl)-11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cc6c(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)nc7ccccc7c6c6c5oc5ccccc56)c4)n3)cc2)cc1.

What is the InChIKey of 14-(9-phenylcarbazol-3-yl)-11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

The InChIKey is CGWPRUIINUXNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39N5O/c1-4-17-40(18-5-1)41-31-33-43(34-32-41)63-66-62(42-19-6-2-7-20-42)67-64(68-63)46-22-16-21-44(37-46)51-39-53-58(59-50-27-12-15-30-57(50)70-61(51)59)49-26-10-13-28-54(49)65-60(53)45-35-36-56-52(38-45)48-25-11-14-29-55(48)69(56)47-23-8-3-9-24-47/h1-39H.

What are the key properties of 14-(9-phenylcarbazol-3-yl)-11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

14-(9-phenylcarbazol-3-yl)-11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene has a molecular weight of 894.05 g/mol, XLogP of 16.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(9-phenylcarbazol-3-yl)-11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene is sourced from PubChem (CID 138513509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).