6-[5-[2-[3-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]-14-[3-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene

C92H50N8O2 — CID 146231217

About 6-[5-[2-[3-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]-14-[3-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene

6-[5-[2-[3-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]-14-[3-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene (PubChem CID 146231217) has the molecular formula C92H50N8O2 and a molecular weight of 1299.47 g/mol. Its IUPAC name is 6-[5-[2-[3-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]-14-[3-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 6-[5-[2-[3-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]-14-[3-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
• PubChem CID: 146231217
• Molecular Formula: C92H50N8O2
• Molecular Weight: 1299.47 g/mol
• Exact Mass: 1298.41
• IUPAC Name: 6-[5-[2-[3-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]-14-[3-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
• SMILES: c1cc(-c2ccc3cc(-c4cc5cccnc5c5nc(-c6ccc7c(c6)oc6c7ccc7c(-c8cccc(-c9ccc(-c%10cc%11cccnc%11c%11ncccc%10%11)c%10cccnc9%10)c8)nc8ccccc8c76)ccc45)ccc3n2)cc(-c2nc3ccccc3c3c2ccc2c4ccccc4oc23)c1
• InChI: InChI=1S/C92H50N8O2/c1-4-24-78-69(20-1)82-71(35-33-67-62-19-3-6-26-80(62)101-91(67)82)85(100-78)57-16-8-14-53(47-57)75-39-29-54-45-52(28-38-76(54)97-75)73-48-58-17-9-42-94-87(58)90-66(73)37-40-77(98-90)55-27-30-63-68-34-36-72-83(92(68)102-81(63)50-55)70-21-2-5-25-79(70)99-84(72)56-15-7-13-51(46-56)60-31-32-61(64-22-11-43-95-88(60)64)74-49-59-18-10-41-93-86(59)89-65(74)23-12-44-96-89/h1-50H
• InChIKey: VMFPZCAIOVVOOU-UHFFFAOYSA-N
• XLogP: 23.85
• TPSA: 129.40 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1299.47
LogP ≤ 5	23.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-[3-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]-14-[3-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene?

The IUPAC name of 6-[5-[2-[3-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]-14-[3-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene (CID 146231217) is 6-[5-[2-[3-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]-14-[3-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene.

What is the SMILES notation for 6-[5-[2-[3-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]-14-[3-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene?

The canonical SMILES for 6-[5-[2-[3-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]-14-[3-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene is c1cc(-c2ccc3cc(-c4cc5cccnc5c5nc(-c6ccc7c(c6)oc6c7ccc7c(-c8cccc(-c9ccc(-c%10cc%11cccnc%11c%11ncccc%10%11)c%10cccnc9%10)c8)nc8ccccc8c76)ccc45)ccc3n2)cc(-c2nc3ccccc3c3c2ccc2c4ccccc4oc23)c1.

What is the InChIKey of 6-[5-[2-[3-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]-14-[3-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene?

The InChIKey is VMFPZCAIOVVOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H50N8O2/c1-4-24-78-69(20-1)82-71(35-33-67-62-19-3-6-26-80(62)101-91(67)82)85(100-78)57-16-8-14-53(47-57)75-39-29-54-45-52(28-38-76(54)97-75)73-48-58-17-9-42-94-87(58)90-66(73)37-40-77(98-90)55-27-30-63-68-34-36-72-83(92(68)102-81(63)50-55)70-21-2-5-25-79(70)99-84(72)56-15-7-13-51(46-56)60-31-32-61(64-22-11-43-95-88(60)64)74-49-59-18-10-41-93-86(59)89-65(74)23-12-44-96-89/h1-50H.

What are the key properties of 6-[5-[2-[3-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]-14-[3-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene?

6-[5-[2-[3-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]-14-[3-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene has a molecular weight of 1299.47 g/mol, XLogP of 23.85, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[2-[3-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]-14-[3-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene is sourced from PubChem (CID 146231217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).