2-phenyl-4-[3-[4-[5-[4-[4-phenyl-6-[4-[4-(4-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]phenyl]-5-(4-pyridin-2-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine

C119H73N9O2 — CID 139306448

IUPAC2-phenyl-4-[3-[4-[5-[4-[4-phenyl-6-[4-[4-(4-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]phenyl]-5-(4-pyridin-2-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-c5ccc(-c6cccc7c6Oc6ccccc6C76c7ccccc7-c7c(-c8nc(-c9ccccc9)nc(-c9ccc(-c%10ccc(-c%11ccc(-c%12ccccn%12)cc%11)cc%10)cc9)n8)cccc76)cn5)cc4)c3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C119H73N9O2/c1-3-24-83(25-4-1)112-123-114(85-64-56-77(57-65-85)75-48-46-74(47-49-75)76-50-58-80(59-51-76)103-41-17-19-68-120-103)127-116(125-112)94-32-23-39-101-110(94)92-29-8-10-34-96(92)119(101)99-37-13-16-45-108(99)130-111-90(30-21-40-102(111)119)86-66-67-105(122-73-86)82-62-54-79(55-63-82)88-70-87(78-52-60-81(61-53-78)104-42-18-20-69-121-104)71-89(72-88)115-124-113(84-26-5-2-6-27-84)126-117(128-115)93-31-22-38-100-109(93)91-28-7-9-33-95(91)118(100)97-35-11-14-43-106(97)129-107-44-15-12-36-98(107)118/h1-73H
InChIKeyNVEVJFIWYFRXCR-UHFFFAOYSA-N
MW1660.95 g/mol
LogP28.52
Rot. Bonds14

About 2-phenyl-4-[3-[4-[5-[4-[4-phenyl-6-[4-[4-(4-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]phenyl]-5-(4-pyridin-2-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine

2-phenyl-4-[3-[4-[5-[4-[4-phenyl-6-[4-[4-(4-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]phenyl]-5-(4-pyridin-2-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine (PubChem CID 139306448) has the molecular formula C119H73N9O2 and a molecular weight of 1660.95 g/mol. Its IUPAC name is 2-phenyl-4-[3-[4-[5-[4-[4-phenyl-6-[4-[4-(4-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]phenyl]-5-(4-pyridin-2-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[3-[4-[5-[4-[4-phenyl-6-[4-[4-(4-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]phenyl]-5-(4-pyridin-2-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
PubChem CID139306448
Molecular FormulaC119H73N9O2
Molecular Weight1660.95 g/mol
Exact Mass1659.59
IUPAC Name2-phenyl-4-[3-[4-[5-[4-[4-phenyl-6-[4-[4-(4-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]phenyl]-5-(4-pyridin-2-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-c5ccc(-c6cccc7c6Oc6ccccc6C76c7ccccc7-c7c(-c8nc(-c9ccccc9)nc(-c9ccc(-c%10ccc(-c%11ccc(-c%12ccccn%12)cc%11)cc%10)cc9)n8)cccc76)cn5)cc4)c3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C119H73N9O2/c1-3-24-83(25-4-1)112-123-114(85-64-56-77(57-65-85)75-48-46-74(47-49-75)76-50-58-80(59-51-76)103-41-17-19-68-120-103)127-116(125-112)94-32-23-39-101-110(94)92-29-8-10-34-96(92)119(101)99-37-13-16-45-108(99)130-111-90(30-21-40-102(111)119)86-66-67-105(122-73-86)82-62-54-79(55-63-82)88-70-87(78-52-60-81(61-53-78)104-42-18-20-69-121-104)71-89(72-88)115-124-113(84-26-5-2-6-27-84)126-117(128-115)93-31-22-38-100-109(93)91-28-7-9-33-95(91)118(100)97-35-11-14-43-106(97)129-107-44-15-12-36-98(107)118/h1-73H
InChIKeyNVEVJFIWYFRXCR-UHFFFAOYSA-N
XLogP28.52
TPSA134.47 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001660.95
LogP ≤ 528.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[3-[4-[5-[4-[4-phenyl-6-[4-[4-(4-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]phenyl]-5-(4-pyridin-2-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[3-[4-[5-[4-[4-phenyl-6-[4-[4-(4-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]phenyl]-5-(4-pyridin-2-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine (CID 139306448) is 2-phenyl-4-[3-[4-[5-[4-[4-phenyl-6-[4-[4-(4-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]phenyl]-5-(4-pyridin-2-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[3-[4-[5-[4-[4-phenyl-6-[4-[4-(4-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]phenyl]-5-(4-pyridin-2-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[3-[4-[5-[4-[4-phenyl-6-[4-[4-(4-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]phenyl]-5-(4-pyridin-2-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine is c1ccc(-c2nc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-c5ccc(-c6cccc7c6Oc6ccccc6C76c7ccccc7-c7c(-c8nc(-c9ccccc9)nc(-c9ccc(-c%10ccc(-c%11ccc(-c%12ccccn%12)cc%11)cc%10)cc9)n8)cccc76)cn5)cc4)c3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)n2)cc1.
What is the InChIKey of 2-phenyl-4-[3-[4-[5-[4-[4-phenyl-6-[4-[4-(4-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]phenyl]-5-(4-pyridin-2-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine?
The InChIKey is NVEVJFIWYFRXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C119H73N9O2/c1-3-24-83(25-4-1)112-123-114(85-64-56-77(57-65-85)75-48-46-74(47-49-75)76-50-58-80(59-51-76)103-41-17-19-68-120-103)127-116(125-112)94-32-23-39-101-110(94)92-29-8-10-34-96(92)119(101)99-37-13-16-45-108(99)130-111-90(30-21-40-102(111)119)86-66-67-105(122-73-86)82-62-54-79(55-63-82)88-70-87(78-52-60-81(61-53-78)104-42-18-20-69-121-104)71-89(72-88)115-124-113(84-26-5-2-6-27-84)126-117(128-115)93-31-22-38-100-109(93)91-28-7-9-33-95(91)118(100)97-35-11-14-43-106(97)129-107-44-15-12-36-98(107)118/h1-73H.
What are the key properties of 2-phenyl-4-[3-[4-[5-[4-[4-phenyl-6-[4-[4-(4-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]phenyl]-5-(4-pyridin-2-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine?
2-phenyl-4-[3-[4-[5-[4-[4-phenyl-6-[4-[4-(4-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]phenyl]-5-(4-pyridin-2-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine has a molecular weight of 1660.95 g/mol, XLogP of 28.52, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[3-[4-[5-[4-[4-phenyl-6-[4-[4-(4-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]phenyl]-5-(4-pyridin-2-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine is sourced from PubChem (CID 139306448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).