10-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-[4-[4-phenyl-6-(2-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-18-ylphenyl)pyrimidin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]

C112H68N6 — CID 146495198

About 10-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-[4-[4-phenyl-6-(2-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-18-ylphenyl)pyrimidin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]

10-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-[4-[4-phenyl-6-(2-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-18-ylphenyl)pyrimidin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] (PubChem CID 146495198) has the molecular formula C112H68N6 and a molecular weight of 1497.82 g/mol. Its IUPAC name is 10-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-[4-[4-phenyl-6-(2-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-18-ylphenyl)pyrimidin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene].

Molecular Properties

• Compound Name: 10-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-[4-[4-phenyl-6-(2-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-18-ylphenyl)pyrimidin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
• PubChem CID: 146495198
• Molecular Formula: C112H68N6
• Molecular Weight: 1497.82 g/mol
• Exact Mass: 1496.55
• IUPAC Name: 10-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-[4-[4-phenyl-6-(2-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-18-ylphenyl)pyrimidin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5cc6c7c(c5)c5ccc(-c8ccc(-c9nc(-c%10ccccc%10)cc(-c%10ccccc%10-c%10cccc%11c%10-n%10c%12ccccc%12c%12cccc(c%12%10)C%11%10c%11ccccc%11-c%11ccccc%11%10)n9)cc8)cc5n7-c5ccccc5C65c6ccccc6-c6ccccc65)c4)n3)cc2)cc1
• InChI: InChI=1S/C112H68N6/c1-4-27-69(28-5-1)70-53-57-74(58-54-70)109-113-99(72-29-6-2-7-30-72)67-101(115-109)78-34-24-33-76(63-78)79-64-90-87-62-61-77(66-105(87)117-104-52-23-21-48-95(104)111(98(65-79)108(90)117)91-44-17-12-36-81(91)82-37-13-18-45-92(82)111)71-55-59-75(60-56-71)110-114-100(73-31-8-3-9-32-73)68-102(116-110)85-40-11-10-35-80(85)88-42-25-49-96-106(88)118-103-51-22-16-41-86(103)89-43-26-50-97(107(89)118)112(96)93-46-19-14-38-83(93)84-39-15-20-47-94(84)112/h1-68H
• InChIKey: LEHMWQHZEPSXBV-UHFFFAOYSA-N
• XLogP: 27.48
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1497.82
LogP ≤ 5	27.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 10-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-[4-[4-phenyl-6-(2-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-18-ylphenyl)pyrimidin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The IUPAC name of 10-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-[4-[4-phenyl-6-(2-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-18-ylphenyl)pyrimidin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] (CID 146495198) is 10-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-[4-[4-phenyl-6-(2-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-18-ylphenyl)pyrimidin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene].

What is the SMILES notation for 10-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-[4-[4-phenyl-6-(2-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-18-ylphenyl)pyrimidin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The canonical SMILES for 10-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-[4-[4-phenyl-6-(2-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-18-ylphenyl)pyrimidin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] is c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5cc6c7c(c5)c5ccc(-c8ccc(-c9nc(-c%10ccccc%10)cc(-c%10ccccc%10-c%10cccc%11c%10-n%10c%12ccccc%12c%12cccc(c%12%10)C%11%10c%11ccccc%11-c%11ccccc%11%10)n9)cc8)cc5n7-c5ccccc5C65c6ccccc6-c6ccccc65)c4)n3)cc2)cc1.

What is the InChIKey of 10-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-[4-[4-phenyl-6-(2-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-18-ylphenyl)pyrimidin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The InChIKey is LEHMWQHZEPSXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H68N6/c1-4-27-69(28-5-1)70-53-57-74(58-54-70)109-113-99(72-29-6-2-7-30-72)67-101(115-109)78-34-24-33-76(63-78)79-64-90-87-62-61-77(66-105(87)117-104-52-23-21-48-95(104)111(98(65-79)108(90)117)91-44-17-12-36-81(91)82-37-13-18-45-92(82)111)71-55-59-75(60-56-71)110-114-100(73-31-8-3-9-32-73)68-102(116-110)85-40-11-10-35-80(85)88-42-25-49-96-106(88)118-103-51-22-16-41-86(103)89-43-26-50-97(107(89)118)112(96)93-46-19-14-38-83(93)84-39-15-20-47-94(84)112/h1-68H.

What are the key properties of 10-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-[4-[4-phenyl-6-(2-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-18-ylphenyl)pyrimidin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

10-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-[4-[4-phenyl-6-(2-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-18-ylphenyl)pyrimidin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] has a molecular weight of 1497.82 g/mol, XLogP of 27.48, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-[4-[4-phenyl-6-(2-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-18-ylphenyl)pyrimidin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] is sourced from PubChem (CID 146495198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).