4-[4-[3-[2'-[2-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]naphthalen-1-yl]-2-phenyl-6-[2-[4-[7-[2-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]naphthalen-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine

C161H96N6O3S — CID 166710566

IUPAC4-[4-[3-[2'-[2-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]naphthalen-1-yl]-2-phenyl-6-[2-[4-[7-[2-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]naphthalen-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccc(-c7ccccc7-c7cc(-c8ccc(-c9cccc(-c%10cccc%11c%10-c%10ccccc%10C%11%10c%11ccccc%11Oc%11ccc(-c%12ccccc%12-c%12cc(-c%13ccc%14c(c%13)sc%13ccccc%13%14)nc(-c%13ccccc%13)n%12)cc%11%10)c9)c9ccccc89)nc(-c8ccccc8)n7)cc65)cc4c3)cc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C161H96N6O3S/c1-4-37-98(38-5-1)156-162-140(94-142(164-156)120-52-15-10-45-110(120)104-78-84-149-137(90-104)159(132-64-27-30-69-146(132)168-149)128-60-23-18-50-118(128)119-51-19-24-61-129(119)159)107-76-74-97-73-75-103(88-109(97)89-107)115-59-36-68-136-155(115)127-57-21-26-63-131(127)161(136)134-66-29-32-71-148(134)170-151-86-80-106(92-139(151)161)112-47-12-17-54-122(112)144-96-145(167-158(166-144)100-41-8-3-9-42-100)123-83-82-113(116-48-13-14-49-117(116)123)101-43-34-44-102(87-101)114-58-35-67-135-154(114)126-56-20-25-62-130(126)160(135)133-65-28-31-70-147(133)169-150-85-79-105(91-138(150)160)111-46-11-16-53-121(111)143-95-141(163-157(165-143)99-39-6-2-7-40-99)108-77-81-125-124-55-22-33-72-152(124)171-153(125)93-108/h1-96H
InChIKeyHDRNJJWVLCAAGY-UHFFFAOYSA-N
MW2194.64 g/mol
LogP41.14
Rot. Bonds15

About 4-[4-[3-[2'-[2-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]naphthalen-1-yl]-2-phenyl-6-[2-[4-[7-[2-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]naphthalen-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine

4-[4-[3-[2'-[2-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]naphthalen-1-yl]-2-phenyl-6-[2-[4-[7-[2-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]naphthalen-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine (PubChem CID 166710566) has the molecular formula C161H96N6O3S and a molecular weight of 2194.64 g/mol. Its IUPAC name is 4-[4-[3-[2'-[2-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]naphthalen-1-yl]-2-phenyl-6-[2-[4-[7-[2-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]naphthalen-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine.

Molecular Properties

Compound Name4-[4-[3-[2'-[2-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]naphthalen-1-yl]-2-phenyl-6-[2-[4-[7-[2-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]naphthalen-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
PubChem CID166710566
Molecular FormulaC161H96N6O3S
Molecular Weight2194.64 g/mol
Exact Mass2192.73
IUPAC Name4-[4-[3-[2'-[2-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]naphthalen-1-yl]-2-phenyl-6-[2-[4-[7-[2-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]naphthalen-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccc(-c7ccccc7-c7cc(-c8ccc(-c9cccc(-c%10cccc%11c%10-c%10ccccc%10C%11%10c%11ccccc%11Oc%11ccc(-c%12ccccc%12-c%12cc(-c%13ccc%14c(c%13)sc%13ccccc%13%14)nc(-c%13ccccc%13)n%12)cc%11%10)c9)c9ccccc89)nc(-c8ccccc8)n7)cc65)cc4c3)cc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C161H96N6O3S/c1-4-37-98(38-5-1)156-162-140(94-142(164-156)120-52-15-10-45-110(120)104-78-84-149-137(90-104)159(132-64-27-30-69-146(132)168-149)128-60-23-18-50-118(128)119-51-19-24-61-129(119)159)107-76-74-97-73-75-103(88-109(97)89-107)115-59-36-68-136-155(115)127-57-21-26-63-131(127)161(136)134-66-29-32-71-148(134)170-151-86-80-106(92-139(151)161)112-47-12-17-54-122(112)144-96-145(167-158(166-144)100-41-8-3-9-42-100)123-83-82-113(116-48-13-14-49-117(116)123)101-43-34-44-102(87-101)114-58-35-67-135-154(114)126-56-20-25-62-130(126)160(135)133-65-28-31-70-147(133)169-150-85-79-105(91-138(150)160)111-46-11-16-53-121(111)143-95-141(163-157(165-143)99-39-6-2-7-40-99)108-77-81-125-124-55-22-33-72-152(124)171-153(125)93-108/h1-96H
InChIKeyHDRNJJWVLCAAGY-UHFFFAOYSA-N
XLogP41.14
TPSA105.03 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms171
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002194.64
LogP ≤ 541.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[4-[3-[2'-[2-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]naphthalen-1-yl]-2-phenyl-6-[2-[4-[7-[2-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]naphthalen-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine with MolForge

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Related Compounds

2-[3-[4-[6-[6-[4-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)-3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl]-4-phenylnaphthalen-1-yl]-2-phenylpyrimidin-4-yl]-3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl]phenyl]-4-naphthalen-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 166734082
4-dibenzothiophen-3-yl-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 137388531
2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947377
4-dibenzothiophen-3-yl-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137388664
2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 137388687
4-naphthalen-2-yl-6-phenyl-2-[2-[4-[3-[4-[6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
CID 137388695
4-(3-dibenzothiophen-3-yl-5-naphthalen-2-ylphenyl)-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171601845
2,4-bis(4-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 159156197
4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 157282502
4-dibenzothiophen-3-yl-6-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylpyrimidine
CID 146495560
2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
CID 167700860
2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]pyrimidine
CID 146343142

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[2'-[2-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]naphthalen-1-yl]-2-phenyl-6-[2-[4-[7-[2-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]naphthalen-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine?
The IUPAC name of 4-[4-[3-[2'-[2-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]naphthalen-1-yl]-2-phenyl-6-[2-[4-[7-[2-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]naphthalen-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine (CID 166710566) is 4-[4-[3-[2'-[2-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]naphthalen-1-yl]-2-phenyl-6-[2-[4-[7-[2-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]naphthalen-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine.
What is the SMILES notation for 4-[4-[3-[2'-[2-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]naphthalen-1-yl]-2-phenyl-6-[2-[4-[7-[2-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]naphthalen-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine?
The canonical SMILES for 4-[4-[3-[2'-[2-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]naphthalen-1-yl]-2-phenyl-6-[2-[4-[7-[2-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]naphthalen-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine is c1ccc(-c2nc(-c3ccc4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccc(-c7ccccc7-c7cc(-c8ccc(-c9cccc(-c%10cccc%11c%10-c%10ccccc%10C%11%10c%11ccccc%11Oc%11ccc(-c%12ccccc%12-c%12cc(-c%13ccc%14c(c%13)sc%13ccccc%13%14)nc(-c%13ccccc%13)n%12)cc%11%10)c9)c9ccccc89)nc(-c8ccccc8)n7)cc65)cc4c3)cc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 4-[4-[3-[2'-[2-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]naphthalen-1-yl]-2-phenyl-6-[2-[4-[7-[2-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]naphthalen-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine?
The InChIKey is HDRNJJWVLCAAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C161H96N6O3S/c1-4-37-98(38-5-1)156-162-140(94-142(164-156)120-52-15-10-45-110(120)104-78-84-149-137(90-104)159(132-64-27-30-69-146(132)168-149)128-60-23-18-50-118(128)119-51-19-24-61-129(119)159)107-76-74-97-73-75-103(88-109(97)89-107)115-59-36-68-136-155(115)127-57-21-26-63-131(127)161(136)134-66-29-32-71-148(134)170-151-86-80-106(92-139(151)161)112-47-12-17-54-122(112)144-96-145(167-158(166-144)100-41-8-3-9-42-100)123-83-82-113(116-48-13-14-49-117(116)123)101-43-34-44-102(87-101)114-58-35-67-135-154(114)126-56-20-25-62-130(126)160(135)133-65-28-31-70-147(133)169-150-85-79-105(91-138(150)160)111-46-11-16-53-121(111)143-95-141(163-157(165-143)99-39-6-2-7-40-99)108-77-81-125-124-55-22-33-72-152(124)171-153(125)93-108/h1-96H.
What are the key properties of 4-[4-[3-[2'-[2-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]naphthalen-1-yl]-2-phenyl-6-[2-[4-[7-[2-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]naphthalen-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine?
4-[4-[3-[2'-[2-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]naphthalen-1-yl]-2-phenyl-6-[2-[4-[7-[2-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]naphthalen-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine has a molecular weight of 2194.64 g/mol, XLogP of 41.14, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[2'-[2-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]naphthalen-1-yl]-2-phenyl-6-[2-[4-[7-[2-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]naphthalen-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine is sourced from PubChem (CID 166710566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).