25-(4-fluorophenyl)-3'-[4-naphthalen-2-yl-2-[3'-[3-[4-phenyl-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-yl]quinazolin-6-yl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]

C150H85FN8O3 — CID 163947424

About 25-(4-fluorophenyl)-3'-[4-naphthalen-2-yl-2-[3'-[3-[4-phenyl-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-yl]quinazolin-6-yl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]

25-(4-fluorophenyl)-3'-[4-naphthalen-2-yl-2-[3'-[3-[4-phenyl-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-yl]quinazolin-6-yl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene] (PubChem CID 163947424) has the molecular formula C150H85FN8O3 and a molecular weight of 2066.38 g/mol. Its IUPAC name is 25-(4-fluorophenyl)-3'-[4-naphthalen-2-yl-2-[3'-[3-[4-phenyl-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-yl]quinazolin-6-yl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene].

Molecular Properties

• Compound Name: 25-(4-fluorophenyl)-3'-[4-naphthalen-2-yl-2-[3'-[3-[4-phenyl-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-yl]quinazolin-6-yl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]
• PubChem CID: 163947424
• Molecular Formula: C150H85FN8O3
• Molecular Weight: 2066.38 g/mol
• Exact Mass: 2064.67
• IUPAC Name: 25-(4-fluorophenyl)-3'-[4-naphthalen-2-yl-2-[3'-[3-[4-phenyl-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-yl]quinazolin-6-yl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]
• SMILES: Fc1ccc(-n2c3ccc4ccccc4c3c3ccc4c(c32)Oc2ccccc2C42c3ccccc3-c3cc(-c4ccc5nc(-n6c7ccc8ccccc8c7c7ccc8c(c76)Oc6ccccc6C86c7ccccc7-c7cc(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10cccc(-n%11c%12ccc%13ccccc%13c%12c%12ccc%13c(c%12%11)Oc%11ccccc%11C%13%11c%12ccccc%12-c%12ccccc%12%11)c%10)n9)c8)ccc76)nc(-c6ccc7ccccc7c6)c5c4)ccc32)cc1
• InChI: InChI=1S/C150H85FN8O3/c151-99-64-66-100(67-65-99)157-128-77-61-87-29-6-9-39-102(87)134(128)109-68-74-125-141(138(109)157)160-132-54-24-21-51-122(132)149(125)117-48-18-15-45-108(117)113-84-94(59-72-120(113)149)95-60-76-127-114(85-95)137(96-57-56-86-28-4-5-34-91(86)80-96)153-147(152-127)159-130-79-63-89-31-8-11-41-104(89)136(130)111-70-75-126-143(140(111)159)162-133-55-25-22-52-123(133)150(126)118-49-19-14-44-107(118)112-83-93(58-71-119(112)150)92-35-26-36-97(81-92)145-154-144(90-32-2-1-3-33-90)155-146(156-145)98-37-27-38-101(82-98)158-129-78-62-88-30-7-10-40-103(88)135(129)110-69-73-124-142(139(110)158)161-131-53-23-20-50-121(131)148(124)115-46-16-12-42-105(115)106-43-13-17-47-116(106)148/h1-85H
• InChIKey: RWIOEBWQGVLIFX-UHFFFAOYSA-N
• XLogP: 37.27
• TPSA: 106.93 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2066.38
LogP ≤ 5	37.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 25-(4-fluorophenyl)-3'-[4-naphthalen-2-yl-2-[3'-[3-[4-phenyl-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-yl]quinazolin-6-yl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]?

The IUPAC name of 25-(4-fluorophenyl)-3'-[4-naphthalen-2-yl-2-[3'-[3-[4-phenyl-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-yl]quinazolin-6-yl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene] (CID 163947424) is 25-(4-fluorophenyl)-3'-[4-naphthalen-2-yl-2-[3'-[3-[4-phenyl-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-yl]quinazolin-6-yl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene].

What is the SMILES notation for 25-(4-fluorophenyl)-3'-[4-naphthalen-2-yl-2-[3'-[3-[4-phenyl-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-yl]quinazolin-6-yl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]?

The canonical SMILES for 25-(4-fluorophenyl)-3'-[4-naphthalen-2-yl-2-[3'-[3-[4-phenyl-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-yl]quinazolin-6-yl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene] is Fc1ccc(-n2c3ccc4ccccc4c3c3ccc4c(c32)Oc2ccccc2C42c3ccccc3-c3cc(-c4ccc5nc(-n6c7ccc8ccccc8c7c7ccc8c(c76)Oc6ccccc6C86c7ccccc7-c7cc(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10cccc(-n%11c%12ccc%13ccccc%13c%12c%12ccc%13c(c%12%11)Oc%11ccccc%11C%13%11c%12ccccc%12-c%12ccccc%12%11)c%10)n9)c8)ccc76)nc(-c6ccc7ccccc7c6)c5c4)ccc32)cc1.

What is the InChIKey of 25-(4-fluorophenyl)-3'-[4-naphthalen-2-yl-2-[3'-[3-[4-phenyl-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-yl]quinazolin-6-yl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]?

The InChIKey is RWIOEBWQGVLIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C150H85FN8O3/c151-99-64-66-100(67-65-99)157-128-77-61-87-29-6-9-39-102(87)134(128)109-68-74-125-141(138(109)157)160-132-54-24-21-51-122(132)149(125)117-48-18-15-45-108(117)113-84-94(59-72-120(113)149)95-60-76-127-114(85-95)137(96-57-56-86-28-4-5-34-91(86)80-96)153-147(152-127)159-130-79-63-89-31-8-11-41-104(89)136(130)111-70-75-126-143(140(111)159)162-133-55-25-22-52-123(133)150(126)118-49-19-14-44-107(118)112-83-93(58-71-119(112)150)92-35-26-36-97(81-92)145-154-144(90-32-2-1-3-33-90)155-146(156-145)98-37-27-38-101(82-98)158-129-78-62-88-30-7-10-40-103(88)135(129)110-69-73-124-142(139(110)158)161-131-53-23-20-50-121(131)148(124)115-46-16-12-42-105(115)106-43-13-17-47-116(106)148/h1-85H.

What are the key properties of 25-(4-fluorophenyl)-3'-[4-naphthalen-2-yl-2-[3'-[3-[4-phenyl-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-yl]quinazolin-6-yl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]?

25-(4-fluorophenyl)-3'-[4-naphthalen-2-yl-2-[3'-[3-[4-phenyl-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-yl]quinazolin-6-yl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene] has a molecular weight of 2066.38 g/mol, XLogP of 37.27, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 25-(4-fluorophenyl)-3'-[4-naphthalen-2-yl-2-[3'-[3-[4-phenyl-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-yl]quinazolin-6-yl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene] is sourced from PubChem (CID 163947424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).