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

C183H113N9O3 — CID 160602328

About 14-(9,9-dimethylfluoren-2-yl)-11-[4-(1-phenylbenzimidazol-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-(9-phenyl-1,10-phenanthrolin-2-yl)-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

14-(9,9-dimethylfluoren-2-yl)-11-[4-(1-phenylbenzimidazol-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-(9-phenyl-1,10-phenanthrolin-2-yl)-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 160602328) has the molecular formula C183H113N9O3 and a molecular weight of 2485.98 g/mol. Its IUPAC name is 14-(9,9-dimethylfluoren-2-yl)-11-[4-(1-phenylbenzimidazol-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-(9-phenyl-1,10-phenanthrolin-2-yl)-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.

Molecular Properties

• Compound Name: 14-(9,9-dimethylfluoren-2-yl)-11-[4-(1-phenylbenzimidazol-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-(9-phenyl-1,10-phenanthrolin-2-yl)-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: 160602328
• Molecular Formula: C183H113N9O3
• Molecular Weight: 2485.98 g/mol
• Exact Mass: 2483.90
• IUPAC Name: 14-(9,9-dimethylfluoren-2-yl)-11-[4-(1-phenylbenzimidazol-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-(9-phenyl-1,10-phenanthrolin-2-yl)-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
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc4ccccc4c4c3cc(-c3ccc(-c5nc6ccccc6n5-c5ccccc5)cc3)c3oc5ccccc5c34)cc21.c1ccc(-c2ccc3ccc4ccc(-c5cc6c(-c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)nc7ccccc7c6c6c5oc5ccccc56)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cc7c(-c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccccc8-9)nc8ccccc8c7c7c6oc6ccccc67)cc5)nc4c3n2)cc1
• InChI: InChI=1S/C68H41N3O.C62H37N3O.C53H35N3O/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;1-4-16-38(17-5-1)52-34-31-39-28-29-40-32-35-54(65-60(40)59(39)63-52)48-37-49-56(57-47-24-12-15-27-55(47)66-61(48)57)46-23-11-14-26-53(46)64-58(49)41-30-33-45-44-22-10-13-25-50(44)62(51(45)36-41,42-18-6-2-7-19-42)43-20-8-3-9-21-43;1-53(2)42-19-9-6-16-36(42)37-29-28-34(30-43(37)53)50-41-31-40(51-49(39-18-8-13-23-47(39)57-51)48(41)38-17-7-10-20-44(38)54-50)32-24-26-33(27-25-32)52-55-45-21-11-12-22-46(45)56(52)35-14-4-3-5-15-35/h1-41H;1-37H;3-31H,1-2H3
• InChIKey: RELCJSFQHPZMBL-UHFFFAOYSA-N
• XLogP: 47.10
• TPSA: 147.47 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2485.98
LogP ≤ 5	47.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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-dimethylfluoren-2-yl)-11-[4-(1-phenylbenzimidazol-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-(9-phenyl-1,10-phenanthrolin-2-yl)-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?

The IUPAC name of 14-(9,9-dimethylfluoren-2-yl)-11-[4-(1-phenylbenzimidazol-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-(9-phenyl-1,10-phenanthrolin-2-yl)-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 (CID 160602328) is 14-(9,9-dimethylfluoren-2-yl)-11-[4-(1-phenylbenzimidazol-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-(9-phenyl-1,10-phenanthrolin-2-yl)-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.

What is the SMILES notation for 14-(9,9-dimethylfluoren-2-yl)-11-[4-(1-phenylbenzimidazol-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-(9-phenyl-1,10-phenanthrolin-2-yl)-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?

The canonical SMILES for 14-(9,9-dimethylfluoren-2-yl)-11-[4-(1-phenylbenzimidazol-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-(9-phenyl-1,10-phenanthrolin-2-yl)-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 is CC1(C)c2ccccc2-c2ccc(-c3nc4ccccc4c4c3cc(-c3ccc(-c5nc6ccccc6n5-c5ccccc5)cc3)c3oc5ccccc5c34)cc21.c1ccc(-c2ccc3ccc4ccc(-c5cc6c(-c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)nc7ccccc7c6c6c5oc5ccccc56)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cc7c(-c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccccc8-9)nc8ccccc8c7c7c6oc6ccccc67)cc5)nc4c3n2)cc1.

What is the InChIKey of 14-(9,9-dimethylfluoren-2-yl)-11-[4-(1-phenylbenzimidazol-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-(9-phenyl-1,10-phenanthrolin-2-yl)-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?

The InChIKey is RELCJSFQHPZMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H41N3O.C62H37N3O.C53H35N3O/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;1-4-16-38(17-5-1)52-34-31-39-28-29-40-32-35-54(65-60(40)59(39)63-52)48-37-49-56(57-47-24-12-15-27-55(47)66-61(48)57)46-23-11-14-26-53(46)64-58(49)41-30-33-45-44-22-10-13-25-50(44)62(51(45)36-41,42-18-6-2-7-19-42)43-20-8-3-9-21-43;1-53(2)42-19-9-6-16-36(42)37-29-28-34(30-43(37)53)50-41-31-40(51-49(39-18-8-13-23-47(39)57-51)48(41)38-17-7-10-20-44(38)54-50)32-24-26-33(27-25-32)52-55-45-21-11-12-22-46(45)56(52)35-14-4-3-5-15-35/h1-41H;1-37H;3-31H,1-2H3.

What are the key properties of 14-(9,9-dimethylfluoren-2-yl)-11-[4-(1-phenylbenzimidazol-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-(9-phenyl-1,10-phenanthrolin-2-yl)-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?

14-(9,9-dimethylfluoren-2-yl)-11-[4-(1-phenylbenzimidazol-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-(9-phenyl-1,10-phenanthrolin-2-yl)-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 2485.98 g/mol, XLogP of 47.10, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(9,9-dimethylfluoren-2-yl)-11-[4-(1-phenylbenzimidazol-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-(9-phenyl-1,10-phenanthrolin-2-yl)-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 is sourced from PubChem (CID 160602328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).