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

C99H59N5O2S — CID 146343098

IUPAC4-phenyl-2-[4-[4-[7-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-pyridin-2-ylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)sc3cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6c(-c7ccc(-c8nc(-c9ccccc9)cc(-c9ccccn9)n8)cc7)cccc65)c34)nc(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C99H59N5O2S/c1-3-23-62(24-4-1)84-58-86(103-96(101-84)64-50-46-60(47-51-64)67-30-19-40-81-94(67)105-88-43-15-13-37-78(88)98(81)75-34-10-7-27-69(75)70-28-8-11-35-76(70)98)66-54-55-74-91(57-66)107-90-45-22-33-72(93(74)90)71-32-21-39-80-92(71)73-29-9-12-36-77(73)99(80)79-38-14-16-44-89(79)106-95-68(31-20-41-82(95)99)61-48-52-65(53-49-61)97-102-85(63-25-5-2-6-26-63)59-87(104-97)83-42-17-18-56-100-83/h1-59H
InChIKeyKTDUBPLXCUUCAR-UHFFFAOYSA-N
MW1382.66 g/mol
LogP24.97
Rot. Bonds9

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

4-phenyl-2-[4-[4-[7-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-pyridin-2-ylpyrimidine (PubChem CID 146343098) has the molecular formula C99H59N5O2S and a molecular weight of 1382.66 g/mol. Its IUPAC name is 4-phenyl-2-[4-[4-[7-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-phenyl-2-[4-[4-[7-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-pyridin-2-ylpyrimidine
PubChem CID146343098
Molecular FormulaC99H59N5O2S
Molecular Weight1382.66 g/mol
Exact Mass1381.44
IUPAC Name4-phenyl-2-[4-[4-[7-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-pyridin-2-ylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)sc3cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6c(-c7ccc(-c8nc(-c9ccccc9)cc(-c9ccccn9)n8)cc7)cccc65)c34)nc(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C99H59N5O2S/c1-3-23-62(24-4-1)84-58-86(103-96(101-84)64-50-46-60(47-51-64)67-30-19-40-81-94(67)105-88-43-15-13-37-78(88)98(81)75-34-10-7-27-69(75)70-28-8-11-35-76(70)98)66-54-55-74-91(57-66)107-90-45-22-33-72(93(74)90)71-32-21-39-80-92(71)73-29-9-12-36-77(73)99(80)79-38-14-16-44-89(79)106-95-68(31-20-41-82(95)99)61-48-52-65(53-49-61)97-102-85(63-25-5-2-6-26-63)59-87(104-97)83-42-17-18-56-100-83/h1-59H
InChIKeyKTDUBPLXCUUCAR-UHFFFAOYSA-N
XLogP24.97
TPSA82.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001382.66
LogP ≤ 524.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-phenyl-2-[4-[4-[7-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-pyridin-2-ylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[4-[4-[7-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-pyridin-2-ylpyrimidine?
The IUPAC name of 4-phenyl-2-[4-[4-[7-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-pyridin-2-ylpyrimidine (CID 146343098) is 4-phenyl-2-[4-[4-[7-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-phenyl-2-[4-[4-[7-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-phenyl-2-[4-[4-[7-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-pyridin-2-ylpyrimidine is c1ccc(-c2cc(-c3ccc4c(c3)sc3cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6c(-c7ccc(-c8nc(-c9ccccc9)cc(-c9ccccn9)n8)cc7)cccc65)c34)nc(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)n2)cc1.
What is the InChIKey of 4-phenyl-2-[4-[4-[7-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-pyridin-2-ylpyrimidine?
The InChIKey is KTDUBPLXCUUCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H59N5O2S/c1-3-23-62(24-4-1)84-58-86(103-96(101-84)64-50-46-60(47-51-64)67-30-19-40-81-94(67)105-88-43-15-13-37-78(88)98(81)75-34-10-7-27-69(75)70-28-8-11-35-76(70)98)66-54-55-74-91(57-66)107-90-45-22-33-72(93(74)90)71-32-21-39-80-92(71)73-29-9-12-36-77(73)99(80)79-38-14-16-44-89(79)106-95-68(31-20-41-82(95)99)61-48-52-65(53-49-61)97-102-85(63-25-5-2-6-26-63)59-87(104-97)83-42-17-18-56-100-83/h1-59H.
What are the key properties of 4-phenyl-2-[4-[4-[7-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-pyridin-2-ylpyrimidine?
4-phenyl-2-[4-[4-[7-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-pyridin-2-ylpyrimidine has a molecular weight of 1382.66 g/mol, XLogP of 24.97, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[4-[4-[7-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-pyridin-2-ylpyrimidine is sourced from PubChem (CID 146343098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).