19-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene];14-phenyl-19-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene]

C116H71N7O2 — CID 165062149

About 19-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene];14-phenyl-19-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene]

19-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene];14-phenyl-19-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene] (PubChem CID 165062149) has the molecular formula C116H71N7O2 and a molecular weight of 1594.89 g/mol. Its IUPAC name is 19-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene];14-phenyl-19-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene].

Molecular Properties

• Compound Name: 19-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene];14-phenyl-19-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene]
• PubChem CID: 165062149
• Molecular Formula: C116H71N7O2
• Molecular Weight: 1594.89 g/mol
• Exact Mass: 1593.57
• IUPAC Name: 19-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene];14-phenyl-19-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene]
• SMILES: c1ccc(-c2nc3ccc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)cc3c3c4c(ccc23)C2(c3ccccc3Oc3ccccc32)c2ccccc2-4)cc1.c1ccc(-c2nc3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3c3c4c(ccc23)C2(c3ccccc3Oc3ccccc32)c2ccccc2-4)cc1
• InChI: InChI=1S/C59H36N4O.C57H35N3O/c1-2-14-39(15-3-1)58-43-29-30-48-57(42-16-4-5-17-45(42)59(48)46-18-6-8-22-54(46)64-55-23-9-7-19-47(55)59)56(43)44-34-40(28-31-49(44)63-58)37-24-26-38(27-25-37)41-35-52(50-20-10-12-32-60-50)62-53(36-41)51-21-11-13-33-61-51;1-3-15-37(16-4-1)55-42-32-33-47-54(41-19-7-8-20-44(41)57(47)45-21-9-13-25-51(45)61-52-26-14-10-22-46(52)57)53(42)43-35-39(31-34-48(43)58-55)36-27-29-38(30-28-36)56-59-49-23-11-12-24-50(49)60(56)40-17-5-2-6-18-40/h1-36H;1-35H
• InChIKey: RJPIGYGVEDPPIU-UHFFFAOYSA-N
• XLogP: 28.57
• TPSA: 100.73 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1594.89
LogP ≤ 5	28.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 19-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene];14-phenyl-19-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene]?

The IUPAC name of 19-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene];14-phenyl-19-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene] (CID 165062149) is 19-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene];14-phenyl-19-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene].

What is the SMILES notation for 19-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene];14-phenyl-19-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene]?

The canonical SMILES for 19-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene];14-phenyl-19-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene] is c1ccc(-c2nc3ccc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)cc3c3c4c(ccc23)C2(c3ccccc3Oc3ccccc32)c2ccccc2-4)cc1.c1ccc(-c2nc3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3c3c4c(ccc23)C2(c3ccccc3Oc3ccccc32)c2ccccc2-4)cc1.

What is the InChIKey of 19-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene];14-phenyl-19-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene]?

The InChIKey is RJPIGYGVEDPPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4O.C57H35N3O/c1-2-14-39(15-3-1)58-43-29-30-48-57(42-16-4-5-17-45(42)59(48)46-18-6-8-22-54(46)64-55-23-9-7-19-47(55)59)56(43)44-34-40(28-31-49(44)63-58)37-24-26-38(27-25-37)41-35-52(50-20-10-12-32-60-50)62-53(36-41)51-21-11-13-33-61-51;1-3-15-37(16-4-1)55-42-32-33-47-54(41-19-7-8-20-44(41)57(47)45-21-9-13-25-51(45)61-52-26-14-10-22-46(52)57)53(42)43-35-39(31-34-48(43)58-55)36-27-29-38(30-28-36)56-59-49-23-11-12-24-50(49)60(56)40-17-5-2-6-18-40/h1-36H;1-35H.

What are the key properties of 19-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene];14-phenyl-19-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene]?

19-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene];14-phenyl-19-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene] has a molecular weight of 1594.89 g/mol, XLogP of 28.57, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 19-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene];14-phenyl-19-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene] is sourced from PubChem (CID 165062149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).