2-[4-(8a-methylspiro[8H-xanthene-9,9'-fluorene]-4-yl)phenyl]-4-phenyl-6-[3-[4'-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-1,3,5-triazine

C99H64N6O2 — CID 163645266

IUPAC2-[4-(8a-methylspiro[8H-xanthene-9,9'-fluorene]-4-yl)phenyl]-4-phenyl-6-[3-[4'-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-1,3,5-triazine
SMILESCC12CC=CC=C1Oc1c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc7c6-c6ccccc6C76c7ccccc7Oc7c(-c8ccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10-c%10ccccc%10)n9)cc8)cccc76)c5)n4)cc3)cccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C99H64N6O2/c1-97-60-22-21-51-87(97)107-90-74(42-26-49-85(90)99(97)80-44-17-13-36-75(80)76-37-14-18-45-81(76)99)64-54-56-67(57-55-64)93-100-91(65-29-7-3-8-30-65)102-95(103-93)70-34-23-33-69(61-70)72-40-24-47-83-88(72)78-39-15-16-43-79(78)98(83)82-46-19-20-50-86(82)106-89-73(41-25-48-84(89)98)63-52-58-68(59-53-63)94-101-92(66-31-9-4-10-32-66)104-96(105-94)77-38-12-11-35-71(77)62-27-5-2-6-28-62/h2-59,61H,60H2,1H3
InChIKeyIHRYNMREDZQJMG-UHFFFAOYSA-N
MW1369.64 g/mol
LogP23.75
Rot. Bonds10

About 2-[4-(8a-methylspiro[8H-xanthene-9,9'-fluorene]-4-yl)phenyl]-4-phenyl-6-[3-[4'-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-1,3,5-triazine

2-[4-(8a-methylspiro[8H-xanthene-9,9'-fluorene]-4-yl)phenyl]-4-phenyl-6-[3-[4'-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-1,3,5-triazine (PubChem CID 163645266) has the molecular formula C99H64N6O2 and a molecular weight of 1369.64 g/mol. Its IUPAC name is 2-[4-(8a-methylspiro[8H-xanthene-9,9'-fluorene]-4-yl)phenyl]-4-phenyl-6-[3-[4'-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(8a-methylspiro[8H-xanthene-9,9'-fluorene]-4-yl)phenyl]-4-phenyl-6-[3-[4'-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-1,3,5-triazine
PubChem CID163645266
Molecular FormulaC99H64N6O2
Molecular Weight1369.64 g/mol
Exact Mass1368.51
IUPAC Name2-[4-(8a-methylspiro[8H-xanthene-9,9'-fluorene]-4-yl)phenyl]-4-phenyl-6-[3-[4'-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-1,3,5-triazine
SMILESCC12CC=CC=C1Oc1c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc7c6-c6ccccc6C76c7ccccc7Oc7c(-c8ccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10-c%10ccccc%10)n9)cc8)cccc76)c5)n4)cc3)cccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C99H64N6O2/c1-97-60-22-21-51-87(97)107-90-74(42-26-49-85(90)99(97)80-44-17-13-36-75(80)76-37-14-18-45-81(76)99)64-54-56-67(57-55-64)93-100-91(65-29-7-3-8-30-65)102-95(103-93)70-34-23-33-69(61-70)72-40-24-47-83-88(72)78-39-15-16-43-79(78)98(83)82-46-19-20-50-86(82)106-89-73(41-25-48-84(89)98)63-52-58-68(59-53-63)94-101-92(66-31-9-4-10-32-66)104-96(105-94)77-38-12-11-35-71(77)62-27-5-2-6-28-62/h2-59,61H,60H2,1H3
InChIKeyIHRYNMREDZQJMG-UHFFFAOYSA-N
XLogP23.75
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001369.64
LogP ≤ 523.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-(8a-methylspiro[8H-xanthene-9,9'-fluorene]-4-yl)phenyl]-4-phenyl-6-[3-[4'-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(8a-methylspiro[8H-xanthene-9,9'-fluorene]-4-yl)phenyl]-4-phenyl-6-[3-[4'-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2-[4-(8a-methylspiro[8H-xanthene-9,9'-fluorene]-4-yl)phenyl]-4-phenyl-6-[3-[4'-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-1,3,5-triazine (CID 163645266) is 2-[4-(8a-methylspiro[8H-xanthene-9,9'-fluorene]-4-yl)phenyl]-4-phenyl-6-[3-[4'-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-[4-(8a-methylspiro[8H-xanthene-9,9'-fluorene]-4-yl)phenyl]-4-phenyl-6-[3-[4'-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-[4-(8a-methylspiro[8H-xanthene-9,9'-fluorene]-4-yl)phenyl]-4-phenyl-6-[3-[4'-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-1,3,5-triazine is CC12CC=CC=C1Oc1c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc7c6-c6ccccc6C76c7ccccc7Oc7c(-c8ccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10-c%10ccccc%10)n9)cc8)cccc76)c5)n4)cc3)cccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[4-(8a-methylspiro[8H-xanthene-9,9'-fluorene]-4-yl)phenyl]-4-phenyl-6-[3-[4'-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-1,3,5-triazine?
The InChIKey is IHRYNMREDZQJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H64N6O2/c1-97-60-22-21-51-87(97)107-90-74(42-26-49-85(90)99(97)80-44-17-13-36-75(80)76-37-14-18-45-81(76)99)64-54-56-67(57-55-64)93-100-91(65-29-7-3-8-30-65)102-95(103-93)70-34-23-33-69(61-70)72-40-24-47-83-88(72)78-39-15-16-43-79(78)98(83)82-46-19-20-50-86(82)106-89-73(41-25-48-84(89)98)63-52-58-68(59-53-63)94-101-92(66-31-9-4-10-32-66)104-96(105-94)77-38-12-11-35-71(77)62-27-5-2-6-28-62/h2-59,61H,60H2,1H3.
What are the key properties of 2-[4-(8a-methylspiro[8H-xanthene-9,9'-fluorene]-4-yl)phenyl]-4-phenyl-6-[3-[4'-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-1,3,5-triazine?
2-[4-(8a-methylspiro[8H-xanthene-9,9'-fluorene]-4-yl)phenyl]-4-phenyl-6-[3-[4'-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-1,3,5-triazine has a molecular weight of 1369.64 g/mol, XLogP of 23.75, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8a-methylspiro[8H-xanthene-9,9'-fluorene]-4-yl)phenyl]-4-phenyl-6-[3-[4'-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 163645266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).