14-(9,9-diphenylfluoren-2-yl)-11-[4-(9-phenyl-1,10-phenanthrolin-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

C68H41N3O — CID 138513551

About 14-(9,9-diphenylfluoren-2-yl)-11-[4-(9-phenyl-1,10-phenanthrolin-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-(9,9-diphenylfluoren-2-yl)-11-[4-(9-phenyl-1,10-phenanthrolin-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 138513551) has the molecular formula C68H41N3O and a molecular weight of 916.10 g/mol. Its IUPAC name is 14-(9,9-diphenylfluoren-2-yl)-11-[4-(9-phenyl-1,10-phenanthrolin-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-(9,9-diphenylfluoren-2-yl)-11-[4-(9-phenyl-1,10-phenanthrolin-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: 138513551
• Molecular Formula: C68H41N3O
• Molecular Weight: 916.10 g/mol
• Exact Mass: 915.32
• IUPAC Name: 14-(9,9-diphenylfluoren-2-yl)-11-[4-(9-phenyl-1,10-phenanthrolin-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(-c2ccc3ccc4ccc(-c5ccc(-c6cc7c(-c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccccc8-9)nc8ccccc8c7c7c6oc6ccccc67)cc5)nc4c3n2)cc1
• InChI: InChI=1S/C68H41N3O/c1-4-16-43(17-5-1)58-38-35-45-32-33-46-36-39-59(70-66(46)65(45)69-58)44-30-28-42(29-31-44)54-41-55-62(63-53-24-12-15-27-61(53)72-67(54)63)52-23-11-14-26-60(52)71-64(55)47-34-37-51-50-22-10-13-25-56(50)68(57(51)40-47,48-18-6-2-7-19-48)49-20-8-3-9-21-49/h1-41H
• InChIKey: UXYJWEMOVJMYKD-UHFFFAOYSA-N
• XLogP: 17.41
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	916.10
LogP ≤ 5	17.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-(9,9-diphenylfluoren-2-yl)-11-[4-(9-phenyl-1,10-phenanthrolin-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-(9,9-diphenylfluoren-2-yl)-11-[4-(9-phenyl-1,10-phenanthrolin-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 138513551) is 14-(9,9-diphenylfluoren-2-yl)-11-[4-(9-phenyl-1,10-phenanthrolin-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-(9,9-diphenylfluoren-2-yl)-11-[4-(9-phenyl-1,10-phenanthrolin-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-(9,9-diphenylfluoren-2-yl)-11-[4-(9-phenyl-1,10-phenanthrolin-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(-c2ccc3ccc4ccc(-c5ccc(-c6cc7c(-c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccccc8-9)nc8ccccc8c7c7c6oc6ccccc67)cc5)nc4c3n2)cc1.

What is the InChIKey of 14-(9,9-diphenylfluoren-2-yl)-11-[4-(9-phenyl-1,10-phenanthrolin-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 UXYJWEMOVJMYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H41N3O/c1-4-16-43(17-5-1)58-38-35-45-32-33-46-36-39-59(70-66(46)65(45)69-58)44-30-28-42(29-31-44)54-41-55-62(63-53-24-12-15-27-61(53)72-67(54)63)52-23-11-14-26-60(52)71-64(55)47-34-37-51-50-22-10-13-25-56(50)68(57(51)40-47,48-18-6-2-7-19-48)49-20-8-3-9-21-49/h1-41H.

What are the key properties of 14-(9,9-diphenylfluoren-2-yl)-11-[4-(9-phenyl-1,10-phenanthrolin-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-(9,9-diphenylfluoren-2-yl)-11-[4-(9-phenyl-1,10-phenanthrolin-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 916.10 g/mol, XLogP of 17.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(9,9-diphenylfluoren-2-yl)-11-[4-(9-phenyl-1,10-phenanthrolin-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 138513551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).