1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]-2-phenylbenzimidazole;2-[18-(1,10-phenanthrolin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-1,10-phenanthroline;2-phenyl-1-[4-[16-[4-(2-phenylbenzimidazol-1-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]benzimidazole;2-pyridin-2-yl-6-[18-(6-pyridin-2-yl-2-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]pyridine

C173H100N14O8 — CID 157222639

About 1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]-2-phenylbenzimidazole;2-[18-(1,10-phenanthrolin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-1,10-phenanthroline;2-phenyl-1-[4-[16-[4-(2-phenylbenzimidazol-1-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]benzimidazole;2-pyridin-2-yl-6-[18-(6-pyridin-2-yl-2-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]pyridine

1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]-2-phenylbenzimidazole;2-[18-(1,10-phenanthrolin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-1,10-phenanthroline;2-phenyl-1-[4-[16-[4-(2-phenylbenzimidazol-1-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]benzimidazole;2-pyridin-2-yl-6-[18-(6-pyridin-2-yl-2-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]pyridine (PubChem CID 157222639) has the molecular formula C173H100N14O8 and a molecular weight of 2502.79 g/mol. Its IUPAC name is 1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]-2-phenylbenzimidazole;2-[18-(1,10-phenanthrolin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-1,10-phenanthroline;2-phenyl-1-[4-[16-[4-(2-phenylbenzimidazol-1-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]benzimidazole;2-pyridin-2-yl-6-[18-(6-pyridin-2-yl-2-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]pyridine.

Molecular Properties

• Compound Name: 1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]-2-phenylbenzimidazole;2-[18-(1,10-phenanthrolin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-1,10-phenanthroline;2-phenyl-1-[4-[16-[4-(2-phenylbenzimidazol-1-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]benzimidazole;2-pyridin-2-yl-6-[18-(6-pyridin-2-yl-2-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]pyridine
• PubChem CID: 157222639
• Molecular Formula: C173H100N14O8
• Molecular Weight: 2502.79 g/mol
• Exact Mass: 2500.78
• IUPAC Name: 1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]-2-phenylbenzimidazole;2-[18-(1,10-phenanthrolin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-1,10-phenanthroline;2-phenyl-1-[4-[16-[4-(2-phenylbenzimidazol-1-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]benzimidazole;2-pyridin-2-yl-6-[18-(6-pyridin-2-yl-2-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]pyridine
• SMILES: c1ccc(-c2cccc(-c3ccc4oc5cc6oc7ccc(-c8cccc(-c9ccccn9)n8)cc7c6cc5c4c3)n2)nc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3cccc4c3oc3cc5oc6c(-c7ccc(-n8c(-c9ccccc9)nc9ccccc98)cc7)cccc6c5cc34)cc2)cc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3cccc4c3oc3cc5oc6ccccc6c5cc34)cc2)cc1.c1cnc2c(c1)ccc1ccc(-c3ccc4oc5cc6oc7ccc(-c8ccc9ccc%10cccnc%10c9n8)cc7c6cc5c4c3)nc12
• InChI: InChI=1S/C56H34N4O2.C42H22N4O2.C38H22N4O2.C37H22N2O2/c1-3-13-37(14-4-1)55-57-47-21-7-9-23-49(47)59(55)39-29-25-35(26-30-39)41-17-11-19-43-45-33-46-44-20-12-18-42(54(44)62-52(46)34-51(45)61-53(41)43)36-27-31-40(32-28-36)60-50-24-10-8-22-48(50)58-56(60)38-15-5-2-6-16-38;1-3-23-5-7-25-9-13-33(45-41(25)39(23)43-17-1)27-11-15-35-29(19-27)31-21-32-30-20-28(12-16-36(30)48-38(32)22-37(31)47-35)34-14-10-26-8-6-24-4-2-18-44-40(24)42(26)46-34;1-3-17-39-31(7-1)33-11-5-9-29(41-33)23-13-15-35-25(19-23)27-21-28-26-20-24(14-16-36(26)44-38(28)22-37(27)43-35)30-10-6-12-34(42-30)32-8-2-4-18-40-32;1-2-9-24(10-3-1)37-38-31-14-5-6-15-32(31)39(37)25-19-17-23(18-20-25)26-12-8-13-28-30-21-29-27-11-4-7-16-33(27)40-34(29)22-35(30)41-36(26)28/h1-34H;1-22H;1-22H;1-22H
• InChIKey: ATEBVTNPMZPMRX-UHFFFAOYSA-N
• XLogP: 45.74
• TPSA: 261.70 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2502.79
LogP ≤ 5	45.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]-2-phenylbenzimidazole;2-[18-(1,10-phenanthrolin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-1,10-phenanthroline;2-phenyl-1-[4-[16-[4-(2-phenylbenzimidazol-1-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]benzimidazole;2-pyridin-2-yl-6-[18-(6-pyridin-2-yl-2-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]pyridine?

The IUPAC name of 1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]-2-phenylbenzimidazole;2-[18-(1,10-phenanthrolin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-1,10-phenanthroline;2-phenyl-1-[4-[16-[4-(2-phenylbenzimidazol-1-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]benzimidazole;2-pyridin-2-yl-6-[18-(6-pyridin-2-yl-2-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]pyridine (CID 157222639) is 1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]-2-phenylbenzimidazole;2-[18-(1,10-phenanthrolin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-1,10-phenanthroline;2-phenyl-1-[4-[16-[4-(2-phenylbenzimidazol-1-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]benzimidazole;2-pyridin-2-yl-6-[18-(6-pyridin-2-yl-2-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]pyridine.

What is the SMILES notation for 1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]-2-phenylbenzimidazole;2-[18-(1,10-phenanthrolin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-1,10-phenanthroline;2-phenyl-1-[4-[16-[4-(2-phenylbenzimidazol-1-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]benzimidazole;2-pyridin-2-yl-6-[18-(6-pyridin-2-yl-2-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]pyridine?

The canonical SMILES for 1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]-2-phenylbenzimidazole;2-[18-(1,10-phenanthrolin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-1,10-phenanthroline;2-phenyl-1-[4-[16-[4-(2-phenylbenzimidazol-1-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]benzimidazole;2-pyridin-2-yl-6-[18-(6-pyridin-2-yl-2-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]pyridine is c1ccc(-c2cccc(-c3ccc4oc5cc6oc7ccc(-c8cccc(-c9ccccn9)n8)cc7c6cc5c4c3)n2)nc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3cccc4c3oc3cc5oc6c(-c7ccc(-n8c(-c9ccccc9)nc9ccccc98)cc7)cccc6c5cc34)cc2)cc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3cccc4c3oc3cc5oc6ccccc6c5cc34)cc2)cc1.c1cnc2c(c1)ccc1ccc(-c3ccc4oc5cc6oc7ccc(-c8ccc9ccc%10cccnc%10c9n8)cc7c6cc5c4c3)nc12.

What is the InChIKey of 1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]-2-phenylbenzimidazole;2-[18-(1,10-phenanthrolin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-1,10-phenanthroline;2-phenyl-1-[4-[16-[4-(2-phenylbenzimidazol-1-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]benzimidazole;2-pyridin-2-yl-6-[18-(6-pyridin-2-yl-2-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]pyridine?

The InChIKey is ATEBVTNPMZPMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4O2.C42H22N4O2.C38H22N4O2.C37H22N2O2/c1-3-13-37(14-4-1)55-57-47-21-7-9-23-49(47)59(55)39-29-25-35(26-30-39)41-17-11-19-43-45-33-46-44-20-12-18-42(54(44)62-52(46)34-51(45)61-53(41)43)36-27-31-40(32-28-36)60-50-24-10-8-22-48(50)58-56(60)38-15-5-2-6-16-38;1-3-23-5-7-25-9-13-33(45-41(25)39(23)43-17-1)27-11-15-35-29(19-27)31-21-32-30-20-28(12-16-36(30)48-38(32)22-37(31)47-35)34-14-10-26-8-6-24-4-2-18-44-40(24)42(26)46-34;1-3-17-39-31(7-1)33-11-5-9-29(41-33)23-13-15-35-25(19-23)27-21-28-26-20-24(14-16-36(26)44-38(28)22-37(27)43-35)30-10-6-12-34(42-30)32-8-2-4-18-40-32;1-2-9-24(10-3-1)37-38-31-14-5-6-15-32(31)39(37)25-19-17-23(18-20-25)26-12-8-13-28-30-21-29-27-11-4-7-16-33(27)40-34(29)22-35(30)41-36(26)28/h1-34H;1-22H;1-22H;1-22H.

What are the key properties of 1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]-2-phenylbenzimidazole;2-[18-(1,10-phenanthrolin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-1,10-phenanthroline;2-phenyl-1-[4-[16-[4-(2-phenylbenzimidazol-1-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]benzimidazole;2-pyridin-2-yl-6-[18-(6-pyridin-2-yl-2-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]pyridine?

1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]-2-phenylbenzimidazole;2-[18-(1,10-phenanthrolin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-1,10-phenanthroline;2-phenyl-1-[4-[16-[4-(2-phenylbenzimidazol-1-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]benzimidazole;2-pyridin-2-yl-6-[18-(6-pyridin-2-yl-2-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]pyridine has a molecular weight of 2502.79 g/mol, XLogP of 45.74, 15 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]-2-phenylbenzimidazole;2-[18-(1,10-phenanthrolin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-1,10-phenanthroline;2-phenyl-1-[4-[16-[4-(2-phenylbenzimidazol-1-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]benzimidazole;2-pyridin-2-yl-6-[18-(6-pyridin-2-yl-2-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]pyridine is sourced from PubChem (CID 157222639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).