4-[5-methyl-6-[4'-(4-methyl-6-phenyl-4-pyridin-2-yl-5H-pyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-5,6-dihydronaphthalen-1-yl]-6-phenyl-2-[3-[2-[4-[6-(4-phenylcyclohexa-1,5-dien-1-yl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine

C140H93N7O3 — CID 130379227

IUPAC4-[5-methyl-6-[4'-(4-methyl-6-phenyl-4-pyridin-2-yl-5H-pyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-5,6-dihydronaphthalen-1-yl]-6-phenyl-2-[3-[2-[4-[6-(4-phenylcyclohexa-1,5-dien-1-yl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine
SMILESCC1c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5cc(-c6ccccc6-c6ccc(-c7cc(C8=CCC(c9ccccc9)C=C8)nc(-c8cccc9c8Oc8ccccc8C98c9ccccc9-c9ccccc98)n7)cc6)ccc54)n3)c2C=CC1c1cccc2c1-c1ccccc1C21c2ccccc2Oc2c(C3=NC(C)(c4ccccn4)CC(c4ccccc4)=N3)cccc21
InChIInChI=1S/C140H93N7O3/c1-85-94-47-30-48-102(98(94)78-77-95(85)103-49-31-60-117-130(103)104-46-17-21-56-112(104)140(117)116-59-24-27-66-128(116)150-133-107(52-34-63-120(133)140)136-146-125(90-39-10-5-11-40-90)84-137(2,147-136)129-67-28-29-80-141-129)124-83-123(89-37-8-4-9-38-89)144-135(145-124)106-51-33-62-119-132(106)149-127-65-26-23-58-115(127)139(119)111-55-20-16-45-101(111)108-81-93(76-79-113(108)139)97-42-13-12-41-96(97)88-70-74-92(75-71-88)122-82-121(91-72-68-87(69-73-91)86-35-6-3-7-36-86)142-134(143-122)105-50-32-61-118-131(105)148-126-64-25-22-57-114(126)138(118)109-53-18-14-43-99(109)100-44-15-19-54-110(100)138/h3-68,70-83,85,87,95H,69,84H2,1-2H3
InChIKeyMTCDNVYYRODDIA-UHFFFAOYSA-N
MW1921.33 g/mol
LogP33.33
Rot. Bonds13

About 4-[5-methyl-6-[4'-(4-methyl-6-phenyl-4-pyridin-2-yl-5H-pyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-5,6-dihydronaphthalen-1-yl]-6-phenyl-2-[3-[2-[4-[6-(4-phenylcyclohexa-1,5-dien-1-yl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine

4-[5-methyl-6-[4'-(4-methyl-6-phenyl-4-pyridin-2-yl-5H-pyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-5,6-dihydronaphthalen-1-yl]-6-phenyl-2-[3-[2-[4-[6-(4-phenylcyclohexa-1,5-dien-1-yl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine (PubChem CID 130379227) has the molecular formula C140H93N7O3 and a molecular weight of 1921.33 g/mol. Its IUPAC name is 4-[5-methyl-6-[4'-(4-methyl-6-phenyl-4-pyridin-2-yl-5H-pyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-5,6-dihydronaphthalen-1-yl]-6-phenyl-2-[3-[2-[4-[6-(4-phenylcyclohexa-1,5-dien-1-yl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine.

Molecular Properties

Compound Name4-[5-methyl-6-[4'-(4-methyl-6-phenyl-4-pyridin-2-yl-5H-pyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-5,6-dihydronaphthalen-1-yl]-6-phenyl-2-[3-[2-[4-[6-(4-phenylcyclohexa-1,5-dien-1-yl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine
PubChem CID130379227
Molecular FormulaC140H93N7O3
Molecular Weight1921.33 g/mol
Exact Mass1919.73
IUPAC Name4-[5-methyl-6-[4'-(4-methyl-6-phenyl-4-pyridin-2-yl-5H-pyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-5,6-dihydronaphthalen-1-yl]-6-phenyl-2-[3-[2-[4-[6-(4-phenylcyclohexa-1,5-dien-1-yl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine
SMILESCC1c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5cc(-c6ccccc6-c6ccc(-c7cc(C8=CCC(c9ccccc9)C=C8)nc(-c8cccc9c8Oc8ccccc8C98c9ccccc9-c9ccccc98)n7)cc6)ccc54)n3)c2C=CC1c1cccc2c1-c1ccccc1C21c2ccccc2Oc2c(C3=NC(C)(c4ccccn4)CC(c4ccccc4)=N3)cccc21
InChIInChI=1S/C140H93N7O3/c1-85-94-47-30-48-102(98(94)78-77-95(85)103-49-31-60-117-130(103)104-46-17-21-56-112(104)140(117)116-59-24-27-66-128(116)150-133-107(52-34-63-120(133)140)136-146-125(90-39-10-5-11-40-90)84-137(2,147-136)129-67-28-29-80-141-129)124-83-123(89-37-8-4-9-38-89)144-135(145-124)106-51-33-62-119-132(106)149-127-65-26-23-58-115(127)139(119)111-55-20-16-45-101(111)108-81-93(76-79-113(108)139)97-42-13-12-41-96(97)88-70-74-92(75-71-88)122-82-121(91-72-68-87(69-73-91)86-35-6-3-7-36-86)142-134(143-122)105-50-32-61-118-131(105)148-126-64-25-22-57-114(126)138(118)109-53-18-14-43-99(109)100-44-15-19-54-110(100)138/h3-68,70-83,85,87,95H,69,84H2,1-2H3
InChIKeyMTCDNVYYRODDIA-UHFFFAOYSA-N
XLogP33.33
TPSA116.86 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001921.33
LogP ≤ 533.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[5-methyl-6-[4'-(4-methyl-6-phenyl-4-pyridin-2-yl-5H-pyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-5,6-dihydronaphthalen-1-yl]-6-phenyl-2-[3-[2-[4-[6-(4-phenylcyclohexa-1,5-dien-1-yl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-6-[4'-(4-methyl-6-phenyl-4-pyridin-2-yl-5H-pyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-5,6-dihydronaphthalen-1-yl]-6-phenyl-2-[3-[2-[4-[6-(4-phenylcyclohexa-1,5-dien-1-yl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine?
The IUPAC name of 4-[5-methyl-6-[4'-(4-methyl-6-phenyl-4-pyridin-2-yl-5H-pyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-5,6-dihydronaphthalen-1-yl]-6-phenyl-2-[3-[2-[4-[6-(4-phenylcyclohexa-1,5-dien-1-yl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine (CID 130379227) is 4-[5-methyl-6-[4'-(4-methyl-6-phenyl-4-pyridin-2-yl-5H-pyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-5,6-dihydronaphthalen-1-yl]-6-phenyl-2-[3-[2-[4-[6-(4-phenylcyclohexa-1,5-dien-1-yl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine.
What is the SMILES notation for 4-[5-methyl-6-[4'-(4-methyl-6-phenyl-4-pyridin-2-yl-5H-pyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-5,6-dihydronaphthalen-1-yl]-6-phenyl-2-[3-[2-[4-[6-(4-phenylcyclohexa-1,5-dien-1-yl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine?
The canonical SMILES for 4-[5-methyl-6-[4'-(4-methyl-6-phenyl-4-pyridin-2-yl-5H-pyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-5,6-dihydronaphthalen-1-yl]-6-phenyl-2-[3-[2-[4-[6-(4-phenylcyclohexa-1,5-dien-1-yl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine is CC1c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5cc(-c6ccccc6-c6ccc(-c7cc(C8=CCC(c9ccccc9)C=C8)nc(-c8cccc9c8Oc8ccccc8C98c9ccccc9-c9ccccc98)n7)cc6)ccc54)n3)c2C=CC1c1cccc2c1-c1ccccc1C21c2ccccc2Oc2c(C3=NC(C)(c4ccccn4)CC(c4ccccc4)=N3)cccc21.
What is the InChIKey of 4-[5-methyl-6-[4'-(4-methyl-6-phenyl-4-pyridin-2-yl-5H-pyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-5,6-dihydronaphthalen-1-yl]-6-phenyl-2-[3-[2-[4-[6-(4-phenylcyclohexa-1,5-dien-1-yl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine?
The InChIKey is MTCDNVYYRODDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C140H93N7O3/c1-85-94-47-30-48-102(98(94)78-77-95(85)103-49-31-60-117-130(103)104-46-17-21-56-112(104)140(117)116-59-24-27-66-128(116)150-133-107(52-34-63-120(133)140)136-146-125(90-39-10-5-11-40-90)84-137(2,147-136)129-67-28-29-80-141-129)124-83-123(89-37-8-4-9-38-89)144-135(145-124)106-51-33-62-119-132(106)149-127-65-26-23-58-115(127)139(119)111-55-20-16-45-101(111)108-81-93(76-79-113(108)139)97-42-13-12-41-96(97)88-70-74-92(75-71-88)122-82-121(91-72-68-87(69-73-91)86-35-6-3-7-36-86)142-134(143-122)105-50-32-61-118-131(105)148-126-64-25-22-57-114(126)138(118)109-53-18-14-43-99(109)100-44-15-19-54-110(100)138/h3-68,70-83,85,87,95H,69,84H2,1-2H3.
What are the key properties of 4-[5-methyl-6-[4'-(4-methyl-6-phenyl-4-pyridin-2-yl-5H-pyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-5,6-dihydronaphthalen-1-yl]-6-phenyl-2-[3-[2-[4-[6-(4-phenylcyclohexa-1,5-dien-1-yl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine?
4-[5-methyl-6-[4'-(4-methyl-6-phenyl-4-pyridin-2-yl-5H-pyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-5,6-dihydronaphthalen-1-yl]-6-phenyl-2-[3-[2-[4-[6-(4-phenylcyclohexa-1,5-dien-1-yl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine has a molecular weight of 1921.33 g/mol, XLogP of 33.33, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-6-[4'-(4-methyl-6-phenyl-4-pyridin-2-yl-5H-pyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-5,6-dihydronaphthalen-1-yl]-6-phenyl-2-[3-[2-[4-[6-(4-phenylcyclohexa-1,5-dien-1-yl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine is sourced from PubChem (CID 130379227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).