25-(4,6-diphenyl-2-pyridinyl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]

C221H135N13O4 — CID 158015915

About 25-(4,6-diphenyl-2-pyridinyl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]

25-(4,6-diphenyl-2-pyridinyl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene] (PubChem CID 158015915) has the molecular formula C221H135N13O4 and a molecular weight of 3036.60 g/mol. Its IUPAC name is 25-(4,6-diphenyl-2-pyridinyl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene].

Molecular Properties

• Compound Name: 25-(4,6-diphenyl-2-pyridinyl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]
• PubChem CID: 158015915
• Molecular Formula: C221H135N13O4
• Molecular Weight: 3036.60 g/mol
• Exact Mass: 3034.08
• IUPAC Name: 25-(4,6-diphenyl-2-pyridinyl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc5c(cc4c4ccc6ccccc6c43)C3(c4ccccc4O5)c4ccccc4-c4ccccc43)c2)cc1.c1ccc(-c2cc(-n3c4cc5c(cc4c4ccc6ccccc6c43)C3(c4ccccc4O5)c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6cc7c(cc6c6ccc8ccccc8c65)C5(c6ccccc6O7)c6ccccc6-c6ccccc65)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5cc6c(cc5c5ccc7ccccc7c54)C4(c5ccccc5O6)c5ccccc5-c5ccccc54)c3)n2)cc1
• InChI: InChI=1S/C62H38N4O.C56H34N4O.C52H32N2O.C51H31N3O/c1-3-16-39(17-4-1)40-30-32-43(33-31-40)60-63-59(42-19-5-2-6-20-42)64-61(65-60)44-21-15-22-45(36-44)66-55-38-57-54(37-50(55)49-35-34-41-18-7-8-23-46(41)58(49)66)62(53-28-13-14-29-56(53)67-57)51-26-11-9-24-47(51)48-25-10-12-27-52(48)62;1-3-17-36(18-4-1)53-57-54(37-19-5-2-6-20-37)59-55(58-53)38-21-15-22-39(32-38)60-49-34-51-48(33-44(49)43-31-30-35-16-7-8-23-40(35)52(43)60)56(47-28-13-14-29-50(47)61-51)45-26-11-9-24-41(45)42-25-10-12-27-46(42)56;1-3-15-33(16-4-1)36-29-46(35-18-5-2-6-19-35)53-50(30-36)54-47-32-49-45(31-41(47)40-28-27-34-17-7-8-20-37(34)51(40)54)52(44-25-13-14-26-48(44)55-49)42-23-11-9-21-38(42)39-22-10-12-24-43(39)52;1-3-16-33(17-4-1)44-30-48(53-50(52-44)34-18-5-2-6-19-34)54-45-31-47-43(29-39(45)38-28-27-32-15-7-8-20-35(32)49(38)54)51(42-25-13-14-26-46(42)55-47)40-23-11-9-21-36(40)37-22-10-12-24-41(37)51/h1-38H;1-34H;1-32H;1-31H
• InChIKey: FFLNFEXNENWLKT-UHFFFAOYSA-N
• XLogP: 54.51
• TPSA: 172.65 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3036.60
LogP ≤ 5	54.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 25-(4,6-diphenyl-2-pyridinyl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]?

The IUPAC name of 25-(4,6-diphenyl-2-pyridinyl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene] (CID 158015915) is 25-(4,6-diphenyl-2-pyridinyl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene].

What is the SMILES notation for 25-(4,6-diphenyl-2-pyridinyl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]?

The canonical SMILES for 25-(4,6-diphenyl-2-pyridinyl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene] is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc5c(cc4c4ccc6ccccc6c43)C3(c4ccccc4O5)c4ccccc4-c4ccccc43)c2)cc1.c1ccc(-c2cc(-n3c4cc5c(cc4c4ccc6ccccc6c43)C3(c4ccccc4O5)c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6cc7c(cc6c6ccc8ccccc8c65)C5(c6ccccc6O7)c6ccccc6-c6ccccc65)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5cc6c(cc5c5ccc7ccccc7c54)C4(c5ccccc5O6)c5ccccc5-c5ccccc54)c3)n2)cc1.

What is the InChIKey of 25-(4,6-diphenyl-2-pyridinyl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]?

The InChIKey is FFLNFEXNENWLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N4O.C56H34N4O.C52H32N2O.C51H31N3O/c1-3-16-39(17-4-1)40-30-32-43(33-31-40)60-63-59(42-19-5-2-6-20-42)64-61(65-60)44-21-15-22-45(36-44)66-55-38-57-54(37-50(55)49-35-34-41-18-7-8-23-46(41)58(49)66)62(53-28-13-14-29-56(53)67-57)51-26-11-9-24-47(51)48-25-10-12-27-52(48)62;1-3-17-36(18-4-1)53-57-54(37-19-5-2-6-20-37)59-55(58-53)38-21-15-22-39(32-38)60-49-34-51-48(33-44(49)43-31-30-35-16-7-8-23-40(35)52(43)60)56(47-28-13-14-29-50(47)61-51)45-26-11-9-24-41(45)42-25-10-12-27-46(42)56;1-3-15-33(16-4-1)36-29-46(35-18-5-2-6-19-35)53-50(30-36)54-47-32-49-45(31-41(47)40-28-27-34-17-7-8-20-37(34)51(40)54)52(44-25-13-14-26-48(44)55-49)42-23-11-9-21-38(42)39-22-10-12-24-43(39)52;1-3-16-33(17-4-1)44-30-48(53-50(52-44)34-18-5-2-6-19-34)54-45-31-47-43(29-39(45)38-28-27-32-15-7-8-20-35(32)49(38)54)51(42-25-13-14-26-46(42)55-47)40-23-11-9-21-36(40)37-22-10-12-24-41(37)51/h1-38H;1-34H;1-32H;1-31H.

What are the key properties of 25-(4,6-diphenyl-2-pyridinyl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]?

25-(4,6-diphenyl-2-pyridinyl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene] has a molecular weight of 3036.60 g/mol, XLogP of 54.51, 15 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 25-(4,6-diphenyl-2-pyridinyl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene] is sourced from PubChem (CID 158015915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).