2-[3-[6'-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-(6H-phenalen-2-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine

C110H70N4O2 — CID 166710589

IUPAC2-[3-[6'-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-(6H-phenalen-2-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc(-c5ccc6c(c5)Oc5cc(-c7cccc(-c8nc(-c9cccc(-c%10ccc%11c(c%10)Oc%10ccccc%10C%11%10c%11ccccc%11-c%11ccccc%11%10)c9)cc(-c9cc%10c%11c(cccc%11c9)CC=C%10)n8)c7)ccc5C65c6ccccc6-c6ccccc65)c4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C110H70N4O2/c1-108(2)87-40-11-6-35-81(87)86-51-47-76(60-96(86)108)99-64-97(111-106(112-99)67-23-4-3-5-24-67)74-30-20-28-69(55-74)72-49-53-94-103(62-72)116-104-63-73(50-54-95(104)110(94)90-43-14-9-38-84(90)85-39-10-15-44-91(85)110)70-29-22-34-79(57-70)107-113-98(65-100(114-107)80-58-77-32-18-25-66-26-19-33-78(59-80)105(66)77)75-31-21-27-68(56-75)71-48-52-93-102(61-71)115-101-46-17-16-45-92(101)109(93)88-41-12-7-36-82(88)83-37-8-13-42-89(83)109/h3-25,27-65H,26H2,1-2H3
InChIKeyQADJIQPAZBHLMB-UHFFFAOYSA-N
MW1479.80 g/mol
LogP27.24
Rot. Bonds9

About 2-[3-[6'-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-(6H-phenalen-2-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine

2-[3-[6'-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-(6H-phenalen-2-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine (PubChem CID 166710589) has the molecular formula C110H70N4O2 and a molecular weight of 1479.80 g/mol. Its IUPAC name is 2-[3-[6'-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-(6H-phenalen-2-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[3-[6'-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-(6H-phenalen-2-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
PubChem CID166710589
Molecular FormulaC110H70N4O2
Molecular Weight1479.80 g/mol
Exact Mass1478.55
IUPAC Name2-[3-[6'-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-(6H-phenalen-2-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc(-c5ccc6c(c5)Oc5cc(-c7cccc(-c8nc(-c9cccc(-c%10ccc%11c(c%10)Oc%10ccccc%10C%11%10c%11ccccc%11-c%11ccccc%11%10)c9)cc(-c9cc%10c%11c(cccc%11c9)CC=C%10)n8)c7)ccc5C65c6ccccc6-c6ccccc65)c4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C110H70N4O2/c1-108(2)87-40-11-6-35-81(87)86-51-47-76(60-96(86)108)99-64-97(111-106(112-99)67-23-4-3-5-24-67)74-30-20-28-69(55-74)72-49-53-94-103(62-72)116-104-63-73(50-54-95(104)110(94)90-43-14-9-38-84(90)85-39-10-15-44-91(85)110)70-29-22-34-79(57-70)107-113-98(65-100(114-107)80-58-77-32-18-25-66-26-19-33-78(59-80)105(66)77)75-31-21-27-68(56-75)71-48-52-93-102(61-71)115-101-46-17-16-45-92(101)109(93)88-41-12-7-36-82(88)83-37-8-13-42-89(83)109/h3-25,27-65H,26H2,1-2H3
InChIKeyQADJIQPAZBHLMB-UHFFFAOYSA-N
XLogP27.24
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001479.80
LogP ≤ 527.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[6'-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-(6H-phenalen-2-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine with MolForge

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Related Compounds

4-(6H-phenalen-2-yl)-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 140947344
2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(6H-phenalen-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenanthren-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 161321502
2-(6H-phenalen-2-yl)-4-[4-[6'-[4-[4-phenanthren-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 146342991
2,4-bis(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-(6H-phenalen-2-yl)-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;4-phenanthren-2-yl-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 160597511
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 140947408
4-(9,9-dimethylfluoren-2-yl)-2-[3-[7'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 146342988
4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389240
4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 140947168
2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine
CID 166650929
4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
CID 155305190
4,6-bis(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-phenyl-6-(2-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 157164289
4,6-bis(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4,6-diphenyl-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-naphthalen-2-yl-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-phenyl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-phenyl-6-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-phenyl-6-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine
CID 159580359

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6'-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-(6H-phenalen-2-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
The IUPAC name of 2-[3-[6'-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-(6H-phenalen-2-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine (CID 166710589) is 2-[3-[6'-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-(6H-phenalen-2-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine.
What is the SMILES notation for 2-[3-[6'-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-(6H-phenalen-2-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
The canonical SMILES for 2-[3-[6'-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-(6H-phenalen-2-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc(-c5ccc6c(c5)Oc5cc(-c7cccc(-c8nc(-c9cccc(-c%10ccc%11c(c%10)Oc%10ccccc%10C%11%10c%11ccccc%11-c%11ccccc%11%10)c9)cc(-c9cc%10c%11c(cccc%11c9)CC=C%10)n8)c7)ccc5C65c6ccccc6-c6ccccc65)c4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 2-[3-[6'-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-(6H-phenalen-2-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
The InChIKey is QADJIQPAZBHLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H70N4O2/c1-108(2)87-40-11-6-35-81(87)86-51-47-76(60-96(86)108)99-64-97(111-106(112-99)67-23-4-3-5-24-67)74-30-20-28-69(55-74)72-49-53-94-103(62-72)116-104-63-73(50-54-95(104)110(94)90-43-14-9-38-84(90)85-39-10-15-44-91(85)110)70-29-22-34-79(57-70)107-113-98(65-100(114-107)80-58-77-32-18-25-66-26-19-33-78(59-80)105(66)77)75-31-21-27-68(56-75)71-48-52-93-102(61-71)115-101-46-17-16-45-92(101)109(93)88-41-12-7-36-82(88)83-37-8-13-42-89(83)109/h3-25,27-65H,26H2,1-2H3.
What are the key properties of 2-[3-[6'-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-(6H-phenalen-2-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
2-[3-[6'-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-(6H-phenalen-2-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine has a molecular weight of 1479.80 g/mol, XLogP of 27.24, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6'-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-(6H-phenalen-2-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine is sourced from PubChem (CID 166710589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).