4-[4-[2-[6-methyl-4'-[2-phenyl-6-[6-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]naphthalen-1-yl]pyrimidin-4-yl]spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-yl]phenyl]phenyl]-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine

C139H87N7O3 — CID 130378992

IUPAC4-[4-[2-[6-methyl-4'-[2-phenyl-6-[6-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]naphthalen-1-yl]pyrimidin-4-yl]spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-yl]phenyl]phenyl]-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
SMILESCC1C=CC2=C(C1)c1cc(-c3ccccc3-c3ccc(-c4cc(-c5cccc6c5Oc5ccccc5C65c6ccccc6-c6ccccc65)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)ccc1C21c2ccccc2Oc2c(-c3cc(-c4cccc5cc(-c6cccc7c6-c6ccccc6C76c7ccccc7Oc7c(-c8cc(-c9ccccn9)nc(-c9ccccc9)n8)cccc76)ccc45)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C139H87N7O3/c1-84-63-75-111-106(78-84)107-80-94(96-40-12-11-39-95(96)87-66-68-88(69-67-87)121-81-123(143-136(141-121)91-70-64-86(65-71-91)85-32-5-2-6-33-85)103-46-29-56-117-131(103)147-127-60-22-19-52-113(127)137(117)108-49-16-13-41-99(108)100-42-14-17-50-109(100)137)73-76-112(107)138(111)114-53-20-23-61-128(114)148-132-104(47-30-57-118(132)138)124-82-122(142-134(144-124)89-34-7-3-8-35-89)101-45-27-38-92-79-93(72-74-97(92)101)98-44-28-55-116-130(98)102-43-15-18-51-110(102)139(116)115-54-21-24-62-129(115)149-133-105(48-31-58-119(133)139)125-83-126(120-59-25-26-77-140-120)146-135(145-125)90-36-9-4-10-37-90/h2-77,79-84H,78H2,1H3
InChIKeyNVKKHNJNYIQQGP-UHFFFAOYSA-N
MW1903.27 g/mol
LogP34.02
Rot. Bonds13

About 4-[4-[2-[6-methyl-4'-[2-phenyl-6-[6-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]naphthalen-1-yl]pyrimidin-4-yl]spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-yl]phenyl]phenyl]-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine

4-[4-[2-[6-methyl-4'-[2-phenyl-6-[6-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]naphthalen-1-yl]pyrimidin-4-yl]spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-yl]phenyl]phenyl]-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine (PubChem CID 130378992) has the molecular formula C139H87N7O3 and a molecular weight of 1903.27 g/mol. Its IUPAC name is 4-[4-[2-[6-methyl-4'-[2-phenyl-6-[6-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]naphthalen-1-yl]pyrimidin-4-yl]spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-yl]phenyl]phenyl]-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine.

Molecular Properties

Compound Name4-[4-[2-[6-methyl-4'-[2-phenyl-6-[6-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]naphthalen-1-yl]pyrimidin-4-yl]spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-yl]phenyl]phenyl]-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
PubChem CID130378992
Molecular FormulaC139H87N7O3
Molecular Weight1903.27 g/mol
Exact Mass1901.69
IUPAC Name4-[4-[2-[6-methyl-4'-[2-phenyl-6-[6-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]naphthalen-1-yl]pyrimidin-4-yl]spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-yl]phenyl]phenyl]-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
SMILESCC1C=CC2=C(C1)c1cc(-c3ccccc3-c3ccc(-c4cc(-c5cccc6c5Oc5ccccc5C65c6ccccc6-c6ccccc65)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)ccc1C21c2ccccc2Oc2c(-c3cc(-c4cccc5cc(-c6cccc7c6-c6ccccc6C76c7ccccc7Oc7c(-c8cc(-c9ccccn9)nc(-c9ccccc9)n8)cccc76)ccc45)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C139H87N7O3/c1-84-63-75-111-106(78-84)107-80-94(96-40-12-11-39-95(96)87-66-68-88(69-67-87)121-81-123(143-136(141-121)91-70-64-86(65-71-91)85-32-5-2-6-33-85)103-46-29-56-117-131(103)147-127-60-22-19-52-113(127)137(117)108-49-16-13-41-99(108)100-42-14-17-50-109(100)137)73-76-112(107)138(111)114-53-20-23-61-128(114)148-132-104(47-30-57-118(132)138)124-82-122(142-134(144-124)89-34-7-3-8-35-89)101-45-27-38-92-79-93(72-74-97(92)101)98-44-28-55-116-130(98)102-43-15-18-51-110(102)139(116)115-54-21-24-62-129(115)149-133-105(48-31-58-119(133)139)125-83-126(120-59-25-26-77-140-120)146-135(145-125)90-36-9-4-10-37-90/h2-77,79-84H,78H2,1H3
InChIKeyNVKKHNJNYIQQGP-UHFFFAOYSA-N
XLogP34.02
TPSA117.92 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms149
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001903.27
LogP ≤ 534.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[4-[2-[6-methyl-4'-[2-phenyl-6-[6-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]naphthalen-1-yl]pyrimidin-4-yl]spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-yl]phenyl]phenyl]-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[6-methyl-4'-[2-phenyl-6-[6-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]naphthalen-1-yl]pyrimidin-4-yl]spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-yl]phenyl]phenyl]-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine?
The IUPAC name of 4-[4-[2-[6-methyl-4'-[2-phenyl-6-[6-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]naphthalen-1-yl]pyrimidin-4-yl]spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-yl]phenyl]phenyl]-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine (CID 130378992) is 4-[4-[2-[6-methyl-4'-[2-phenyl-6-[6-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]naphthalen-1-yl]pyrimidin-4-yl]spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-yl]phenyl]phenyl]-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine.
What is the SMILES notation for 4-[4-[2-[6-methyl-4'-[2-phenyl-6-[6-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]naphthalen-1-yl]pyrimidin-4-yl]spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-yl]phenyl]phenyl]-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine?
The canonical SMILES for 4-[4-[2-[6-methyl-4'-[2-phenyl-6-[6-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]naphthalen-1-yl]pyrimidin-4-yl]spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-yl]phenyl]phenyl]-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine is CC1C=CC2=C(C1)c1cc(-c3ccccc3-c3ccc(-c4cc(-c5cccc6c5Oc5ccccc5C65c6ccccc6-c6ccccc65)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)ccc1C21c2ccccc2Oc2c(-c3cc(-c4cccc5cc(-c6cccc7c6-c6ccccc6C76c7ccccc7Oc7c(-c8cc(-c9ccccn9)nc(-c9ccccc9)n8)cccc76)ccc45)nc(-c4ccccc4)n3)cccc21.
What is the InChIKey of 4-[4-[2-[6-methyl-4'-[2-phenyl-6-[6-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]naphthalen-1-yl]pyrimidin-4-yl]spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-yl]phenyl]phenyl]-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine?
The InChIKey is NVKKHNJNYIQQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C139H87N7O3/c1-84-63-75-111-106(78-84)107-80-94(96-40-12-11-39-95(96)87-66-68-88(69-67-87)121-81-123(143-136(141-121)91-70-64-86(65-71-91)85-32-5-2-6-33-85)103-46-29-56-117-131(103)147-127-60-22-19-52-113(127)137(117)108-49-16-13-41-99(108)100-42-14-17-50-109(100)137)73-76-112(107)138(111)114-53-20-23-61-128(114)148-132-104(47-30-57-118(132)138)124-82-122(142-134(144-124)89-34-7-3-8-35-89)101-45-27-38-92-79-93(72-74-97(92)101)98-44-28-55-116-130(98)102-43-15-18-51-110(102)139(116)115-54-21-24-62-129(115)149-133-105(48-31-58-119(133)139)125-83-126(120-59-25-26-77-140-120)146-135(145-125)90-36-9-4-10-37-90/h2-77,79-84H,78H2,1H3.
What are the key properties of 4-[4-[2-[6-methyl-4'-[2-phenyl-6-[6-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]naphthalen-1-yl]pyrimidin-4-yl]spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-yl]phenyl]phenyl]-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine?
4-[4-[2-[6-methyl-4'-[2-phenyl-6-[6-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]naphthalen-1-yl]pyrimidin-4-yl]spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-yl]phenyl]phenyl]-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine has a molecular weight of 1903.27 g/mol, XLogP of 34.02, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[6-methyl-4'-[2-phenyl-6-[6-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]naphthalen-1-yl]pyrimidin-4-yl]spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-yl]phenyl]phenyl]-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine is sourced from PubChem (CID 130378992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).