2-[3-[4'-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-[4-[7-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-6-pyridin-2-ylpyrimidine

C140H81N7O4S — CID 146343235

About 2-[3-[4'-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-[4-[7-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-6-pyridin-2-ylpyrimidine

2-[3-[4'-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-[4-[7-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-6-pyridin-2-ylpyrimidine (PubChem CID 146343235) has the molecular formula C140H81N7O4S and a molecular weight of 1957.30 g/mol. Its IUPAC name is 2-[3-[4'-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-[4-[7-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-6-pyridin-2-ylpyrimidine.

Molecular Properties

• Compound Name: 2-[3-[4'-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-[4-[7-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-6-pyridin-2-ylpyrimidine
• PubChem CID: 146343235
• Molecular Formula: C140H81N7O4S
• Molecular Weight: 1957.30 g/mol
• Exact Mass: 1955.61
• IUPAC Name: 2-[3-[4'-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-[4-[7-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-6-pyridin-2-ylpyrimidine
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)sc3cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6c(-c7cc(-c8ccccn8)nc(-c8cccc(-c9cccc%10c9-c9ccccc9C%109c%10ccccc%10Oc%10c(-c%11cc(-c%12ccc(-c%13cccc%14c%13oc%13ccccc%13%14)cc%12)nc(-c%12ccccc%12)n%11)cccc%109)c8)n7)cccc65)c34)cc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
• InChI: InChI=1S/C140H81N7O4S/c1-3-33-84(34-4-1)135-142-116(83-72-70-82(71-73-83)90-45-26-48-96-93-41-11-19-65-122(93)148-131(90)96)79-118(144-135)99-50-30-62-113-133(99)150-124-67-21-17-57-108(124)139(113)105-54-14-9-42-97(105)128-89(44-27-59-110(128)139)86-37-25-38-88(77-86)137-146-120(81-121(147-137)115-64-23-24-76-141-115)101-51-31-63-114-134(101)151-125-68-22-18-58-109(125)140(114)106-55-15-10-43-98(106)129-94(46-28-60-111(129)140)95-47-32-69-126-130(95)102-75-74-87(78-127(102)152-126)117-80-119(145-136(143-117)85-35-5-2-6-36-85)100-49-29-61-112-132(100)149-123-66-20-16-56-107(123)138(112)103-52-12-7-39-91(103)92-40-8-13-53-104(92)138/h1-81H
• InChIKey: DNOUNQLVAUSSNY-UHFFFAOYSA-N
• XLogP: 35.13
• TPSA: 131.06 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1957.30
LogP ≤ 5	35.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4'-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-[4-[7-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-6-pyridin-2-ylpyrimidine?

The IUPAC name of 2-[3-[4'-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-[4-[7-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-6-pyridin-2-ylpyrimidine (CID 146343235) is 2-[3-[4'-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-[4-[7-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-6-pyridin-2-ylpyrimidine.

What is the SMILES notation for 2-[3-[4'-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-[4-[7-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-6-pyridin-2-ylpyrimidine?

The canonical SMILES for 2-[3-[4'-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-[4-[7-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-6-pyridin-2-ylpyrimidine is c1ccc(-c2nc(-c3ccc4c(c3)sc3cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6c(-c7cc(-c8ccccn8)nc(-c8cccc(-c9cccc%10c9-c9ccccc9C%109c%10ccccc%10Oc%10c(-c%11cc(-c%12ccc(-c%13cccc%14c%13oc%13ccccc%13%14)cc%12)nc(-c%12ccccc%12)n%11)cccc%109)c8)n7)cccc65)c34)cc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.

What is the InChIKey of 2-[3-[4'-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-[4-[7-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-6-pyridin-2-ylpyrimidine?

The InChIKey is DNOUNQLVAUSSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C140H81N7O4S/c1-3-33-84(34-4-1)135-142-116(83-72-70-82(71-73-83)90-45-26-48-96-93-41-11-19-65-122(93)148-131(90)96)79-118(144-135)99-50-30-62-113-133(99)150-124-67-21-17-57-108(124)139(113)105-54-14-9-42-97(105)128-89(44-27-59-110(128)139)86-37-25-38-88(77-86)137-146-120(81-121(147-137)115-64-23-24-76-141-115)101-51-31-63-114-134(101)151-125-68-22-18-58-109(125)140(114)106-55-15-10-43-98(106)129-94(46-28-60-111(129)140)95-47-32-69-126-130(95)102-75-74-87(78-127(102)152-126)117-80-119(145-136(143-117)85-35-5-2-6-36-85)100-49-29-61-112-132(100)149-123-66-20-16-56-107(123)138(112)103-52-12-7-39-91(103)92-40-8-13-53-104(92)138/h1-81H.

What are the key properties of 2-[3-[4'-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-[4-[7-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-6-pyridin-2-ylpyrimidine?

2-[3-[4'-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-[4-[7-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-6-pyridin-2-ylpyrimidine has a molecular weight of 1957.30 g/mol, XLogP of 35.13, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4'-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-[4-[7-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-6-pyridin-2-ylpyrimidine is sourced from PubChem (CID 146343235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).