7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];21-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene]

C175H106N10O3 — CID 165056308

About 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];21-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene]

7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];21-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene] (PubChem CID 165056308) has the molecular formula C175H106N10O3 and a molecular weight of 2396.84 g/mol. Its IUPAC name is 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];21-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene].

Molecular Properties

• Compound Name: 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];21-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene]
• PubChem CID: 165056308
• Molecular Formula: C175H106N10O3
• Molecular Weight: 2396.84 g/mol
• Exact Mass: 2394.84
• IUPAC Name: 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];21-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene]
• SMILES: c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4cc6c(cc4-5)c(-c4ccccc4)nc4ccccc46)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5)-c5cc7c(-c8ccccc8)nc8ccccc8c7cc5C65c6ccccc6Oc6ccccc65)nc4c3n2)cc1.c1ccc(-c2nc3ccccc3c3cc4c(cc23)-c2cc(-c3ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc3)ccc2C42c3ccccc3Oc3ccccc32)cc1
• InChI: InChI=1S/C60H37N3O.C59H36N4O.C56H33N3O/c1-4-16-39(17-5-1)54-37-55(63-59(62-54)42-20-8-3-9-21-42)40-30-28-38(29-31-40)43-32-33-44-47-35-48-46(45-22-10-13-25-53(45)61-58(48)41-18-6-2-7-19-41)36-52(47)60(51(44)34-43)49-23-11-14-26-56(49)64-57-27-15-12-24-50(57)60;1-2-14-39(15-3-1)58-46-35-45-44-32-40(37-24-26-38(27-25-37)41-33-54(52-20-10-12-30-60-52)62-55(34-41)53-21-11-13-31-61-53)28-29-47(44)59(50(45)36-43(46)42-16-4-7-19-51(42)63-58)48-17-5-8-22-56(48)64-57-23-9-6-18-49(57)59;1-3-13-34(14-4-1)48-29-26-36-23-24-37-27-30-49(58-55(37)54(36)57-48)38-25-28-44-41(31-38)42-32-43-40(39-17-7-10-20-50(39)59-53(43)35-15-5-2-6-16-35)33-47(42)56(44)45-18-8-11-21-51(45)60-52-22-12-9-19-46(52)56/h1-37H;1-36H;1-33H
• InChIKey: QMELLHZIIUJYPK-UHFFFAOYSA-N
• XLogP: 43.31
• TPSA: 156.59 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2396.84
LogP ≤ 5	43.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];21-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene]?

The IUPAC name of 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];21-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene] (CID 165056308) is 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];21-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene].

What is the SMILES notation for 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];21-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene]?

The canonical SMILES for 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];21-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene] is c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4cc6c(cc4-5)c(-c4ccccc4)nc4ccccc46)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5)-c5cc7c(-c8ccccc8)nc8ccccc8c7cc5C65c6ccccc6Oc6ccccc65)nc4c3n2)cc1.c1ccc(-c2nc3ccccc3c3cc4c(cc23)-c2cc(-c3ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc3)ccc2C42c3ccccc3Oc3ccccc32)cc1.

What is the InChIKey of 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];21-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene]?

The InChIKey is QMELLHZIIUJYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N3O.C59H36N4O.C56H33N3O/c1-4-16-39(17-5-1)54-37-55(63-59(62-54)42-20-8-3-9-21-42)40-30-28-38(29-31-40)43-32-33-44-47-35-48-46(45-22-10-13-25-53(45)61-58(48)41-18-6-2-7-19-41)36-52(47)60(51(44)34-43)49-23-11-14-26-56(49)64-57-27-15-12-24-50(57)60;1-2-14-39(15-3-1)58-46-35-45-44-32-40(37-24-26-38(27-25-37)41-33-54(52-20-10-12-30-60-52)62-55(34-41)53-21-11-13-31-61-53)28-29-47(44)59(50(45)36-43(46)42-16-4-7-19-51(42)63-58)48-17-5-8-22-56(48)64-57-23-9-6-18-49(57)59;1-3-13-34(14-4-1)48-29-26-36-23-24-37-27-30-49(58-55(37)54(36)57-48)38-25-28-44-41(31-38)42-32-43-40(39-17-7-10-20-50(39)59-53(43)35-15-5-2-6-16-35)33-47(42)56(44)45-18-8-11-21-51(45)60-52-22-12-9-19-46(52)56/h1-37H;1-36H;1-33H.

What are the key properties of 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];21-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene]?

7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];21-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene] has a molecular weight of 2396.84 g/mol, XLogP of 43.31, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];21-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene] is sourced from PubChem (CID 165056308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).