10-phenyl-4'-[4-phenyl-3-[4-phenyl-6-[4-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]-3-[4-[6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene]

C117H75N7 — CID 167177913

About 10-phenyl-4'-[4-phenyl-3-[4-phenyl-6-[4-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]-3-[4-[6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene]

10-phenyl-4'-[4-phenyl-3-[4-phenyl-6-[4-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]-3-[4-[6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene] (PubChem CID 167177913) has the molecular formula C117H75N7 and a molecular weight of 1578.94 g/mol. Its IUPAC name is 10-phenyl-4'-[4-phenyl-3-[4-phenyl-6-[4-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]-3-[4-[6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 10-phenyl-4'-[4-phenyl-3-[4-phenyl-6-[4-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]-3-[4-[6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene]
• PubChem CID: 167177913
• Molecular Formula: C117H75N7
• Molecular Weight: 1578.94 g/mol
• Exact Mass: 1577.61
• IUPAC Name: 10-phenyl-4'-[4-phenyl-3-[4-phenyl-6-[4-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]-3-[4-[6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene]
• SMILES: c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4C54c5ccccc5-c5c(-c6ccc(-c7ccccc7)c(-c7nc(-c8ccccc8)cc(-c8ccc(-c9ccc(N%10c%11ccccc%11C%11(c%12ccccc%12-c%12ccccc%12%11)c%11ccccc%11%10)cc9)cc8)n7)c6)cccc54)cc3)nc(-c3cccc(-c4ccccn4)c3)n2)cc1
• InChI: InChI=1S/C117H75N7/c1-5-29-79(30-6-1)90-68-64-85(72-95(90)115-121-106(81-33-9-3-10-34-81)75-108(122-115)83-58-54-76(55-59-83)77-62-66-89(67-63-77)123-109-51-22-19-46-99(109)116(100-47-20-23-52-110(100)123)96-43-16-13-39-92(96)93-40-14-17-44-97(93)116)91-42-28-49-103-113(91)94-41-15-18-45-98(94)117(103)101-48-21-24-53-111(101)124(88-37-11-4-12-38-88)112-73-84(65-69-102(112)117)78-56-60-82(61-57-78)107-74-105(80-31-7-2-8-32-80)119-114(120-107)87-36-27-35-86(71-87)104-50-25-26-70-118-104/h1-75H
• InChIKey: JUUHFRLTGLAATG-UHFFFAOYSA-N
• XLogP: 29.29
• TPSA: 70.93 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1578.94
LogP ≤ 5	29.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-4'-[4-phenyl-3-[4-phenyl-6-[4-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]-3-[4-[6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene]?

The IUPAC name of 10-phenyl-4'-[4-phenyl-3-[4-phenyl-6-[4-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]-3-[4-[6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene] (CID 167177913) is 10-phenyl-4'-[4-phenyl-3-[4-phenyl-6-[4-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]-3-[4-[6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene].

What is the SMILES notation for 10-phenyl-4'-[4-phenyl-3-[4-phenyl-6-[4-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]-3-[4-[6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene]?

The canonical SMILES for 10-phenyl-4'-[4-phenyl-3-[4-phenyl-6-[4-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]-3-[4-[6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene] is c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4C54c5ccccc5-c5c(-c6ccc(-c7ccccc7)c(-c7nc(-c8ccccc8)cc(-c8ccc(-c9ccc(N%10c%11ccccc%11C%11(c%12ccccc%12-c%12ccccc%12%11)c%11ccccc%11%10)cc9)cc8)n7)c6)cccc54)cc3)nc(-c3cccc(-c4ccccn4)c3)n2)cc1.

What is the InChIKey of 10-phenyl-4'-[4-phenyl-3-[4-phenyl-6-[4-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]-3-[4-[6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene]?

The InChIKey is JUUHFRLTGLAATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C117H75N7/c1-5-29-79(30-6-1)90-68-64-85(72-95(90)115-121-106(81-33-9-3-10-34-81)75-108(122-115)83-58-54-76(55-59-83)77-62-66-89(67-63-77)123-109-51-22-19-46-99(109)116(100-47-20-23-52-110(100)123)96-43-16-13-39-92(96)93-40-14-17-44-97(93)116)91-42-28-49-103-113(91)94-41-15-18-45-98(94)117(103)101-48-21-24-53-111(101)124(88-37-11-4-12-38-88)112-73-84(65-69-102(112)117)78-56-60-82(61-57-78)107-74-105(80-31-7-2-8-32-80)119-114(120-107)87-36-27-35-86(71-87)104-50-25-26-70-118-104/h1-75H.

What are the key properties of 10-phenyl-4'-[4-phenyl-3-[4-phenyl-6-[4-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]-3-[4-[6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene]?

10-phenyl-4'-[4-phenyl-3-[4-phenyl-6-[4-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]-3-[4-[6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene] has a molecular weight of 1578.94 g/mol, XLogP of 29.29, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 10-phenyl-4'-[4-phenyl-3-[4-phenyl-6-[4-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]-3-[4-[6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 167177913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).