2-[3-[4-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-6-phenyl-1,3,5-triazine

C123H75N11O2 — CID 163776996

IUPAC2-[3-[4-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccc(-c%11ccc%12c(c%11)C%11(c%13ccccc%13Oc%13ccccc%13%11)c%11ccc(-c%13nc(-c%14ccccc%14)nc(-c%14ccccc%14)n%13)cc%11-%12)cc%10)n9)c8)cc7)n6)cc4-5)cc3)n2)cc1
InChIInChI=1S/C123H75N11O2/c1-7-28-79(29-8-1)106-75-107(80-30-9-2-10-31-80)125-112(124-106)85-56-52-77(53-57-85)89-62-66-95-97-72-93(65-69-99(97)123(104(95)73-89)102-44-21-25-48-110(102)136-111-49-26-22-45-103(111)123)121-132-116(84-38-17-6-18-39-84)128-118(134-121)86-58-50-76(51-59-86)88-40-27-41-91(70-88)119-129-115(83-36-15-5-16-37-83)127-117(133-119)87-60-54-78(55-61-87)90-63-67-94-96-71-92(120-130-113(81-32-11-3-12-33-81)126-114(131-120)82-34-13-4-14-35-82)64-68-98(96)122(105(94)74-90)100-42-19-23-46-108(100)135-109-47-24-20-43-101(109)122/h1-75H
InChIKeyMLIDTHYWJBTZQI-UHFFFAOYSA-N
MW1739.03 g/mol
LogP28.97
Rot. Bonds15

About 2-[3-[4-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-6-phenyl-1,3,5-triazine

2-[3-[4-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 163776996) has the molecular formula C123H75N11O2 and a molecular weight of 1739.03 g/mol. Its IUPAC name is 2-[3-[4-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[4-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-6-phenyl-1,3,5-triazine
PubChem CID163776996
Molecular FormulaC123H75N11O2
Molecular Weight1739.03 g/mol
Exact Mass1737.61
IUPAC Name2-[3-[4-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccc(-c%11ccc%12c(c%11)C%11(c%13ccccc%13Oc%13ccccc%13%11)c%11ccc(-c%13nc(-c%14ccccc%14)nc(-c%14ccccc%14)n%13)cc%11-%12)cc%10)n9)c8)cc7)n6)cc4-5)cc3)n2)cc1
InChIInChI=1S/C123H75N11O2/c1-7-28-79(29-8-1)106-75-107(80-30-9-2-10-31-80)125-112(124-106)85-56-52-77(53-57-85)89-62-66-95-97-72-93(65-69-99(97)123(104(95)73-89)102-44-21-25-48-110(102)136-111-49-26-22-45-103(111)123)121-132-116(84-38-17-6-18-39-84)128-118(134-121)86-58-50-76(51-59-86)88-40-27-41-91(70-88)119-129-115(83-36-15-5-16-37-83)127-117(133-119)87-60-54-78(55-61-87)90-63-67-94-96-71-92(120-130-113(81-32-11-3-12-33-81)126-114(131-120)82-34-13-4-14-35-82)64-68-98(96)122(105(94)74-90)100-42-19-23-46-108(100)135-109-47-24-20-43-101(109)122/h1-75H
InChIKeyMLIDTHYWJBTZQI-UHFFFAOYSA-N
XLogP28.97
TPSA160.25 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001739.03
LogP ≤ 528.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-[3-[4-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297866
2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine
CID 153297845
2-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297762
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
2-phenyl-4-(3-phenylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine
CID 134571369
2-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297722
2,4-diphenyl-6-[6-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine
CID 154596947
4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 140947168
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947292
4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
CID 155443385
4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379969
4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947343

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[4-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-6-phenyl-1,3,5-triazine (CID 163776996) is 2-[3-[4-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[4-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[4-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccc(-c%11ccc%12c(c%11)C%11(c%13ccccc%13Oc%13ccccc%13%11)c%11ccc(-c%13nc(-c%14ccccc%14)nc(-c%14ccccc%14)n%13)cc%11-%12)cc%10)n9)c8)cc7)n6)cc4-5)cc3)n2)cc1.
What is the InChIKey of 2-[3-[4-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is MLIDTHYWJBTZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C123H75N11O2/c1-7-28-79(29-8-1)106-75-107(80-30-9-2-10-31-80)125-112(124-106)85-56-52-77(53-57-85)89-62-66-95-97-72-93(65-69-99(97)123(104(95)73-89)102-44-21-25-48-110(102)136-111-49-26-22-45-103(111)123)121-132-116(84-38-17-6-18-39-84)128-118(134-121)86-58-50-76(51-59-86)88-40-27-41-91(70-88)119-129-115(83-36-15-5-16-37-83)127-117(133-119)87-60-54-78(55-61-87)90-63-67-94-96-71-92(120-130-113(81-32-11-3-12-33-81)126-114(131-120)82-34-13-4-14-35-82)64-68-98(96)122(105(94)74-90)100-42-19-23-46-108(100)135-109-47-24-20-43-101(109)122/h1-75H.
What are the key properties of 2-[3-[4-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
2-[3-[4-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 1739.03 g/mol, XLogP of 28.97, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 163776996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).