2-[3-[5-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3-pyridinyl]-5-phenylphenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine

C96H65N9 — CID 138744474

IUPAC2-[3-[5-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3-pyridinyl]-5-phenylphenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)cc(-c5cncc(-c6cccc(-c7cccc(-c8nc(-c9cccc(-c%10cccc(-c%11cccnc%11)c%10)c9)nc(-c9cccc(-c%10cccc(-c%11cccnc%11)c%10)c9)n8)c7)c6)c5)c4)n3)cc21
InChIInChI=1S/C96H65N9/c1-96(2)88-41-10-9-40-86(88)87-43-42-78(57-89(87)96)94-103-93(74-34-14-24-64(49-74)62-20-5-3-6-21-62)104-95(105-94)83-54-81(63-22-7-4-8-23-63)53-82(55-83)85-56-84(60-99-61-85)73-33-13-27-67(48-73)70-30-17-37-77(52-70)92-101-90(75-35-15-28-68(50-75)65-25-11-31-71(46-65)79-38-18-44-97-58-79)100-91(102-92)76-36-16-29-69(51-76)66-26-12-32-72(47-66)80-39-19-45-98-59-80/h3-61H,1-2H3
InChIKeyFKYIJXCYPFCXOL-UHFFFAOYSA-N
MW1344.64 g/mol
LogP23.55
Rot. Bonds15

About 2-[3-[5-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3-pyridinyl]-5-phenylphenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine

2-[3-[5-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3-pyridinyl]-5-phenylphenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 138744474) has the molecular formula C96H65N9 and a molecular weight of 1344.64 g/mol. Its IUPAC name is 2-[3-[5-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3-pyridinyl]-5-phenylphenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[5-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3-pyridinyl]-5-phenylphenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID138744474
Molecular FormulaC96H65N9
Molecular Weight1344.64 g/mol
Exact Mass1343.54
IUPAC Name2-[3-[5-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3-pyridinyl]-5-phenylphenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)cc(-c5cncc(-c6cccc(-c7cccc(-c8nc(-c9cccc(-c%10cccc(-c%11cccnc%11)c%10)c9)nc(-c9cccc(-c%10cccc(-c%11cccnc%11)c%10)c9)n8)c7)c6)c5)c4)n3)cc21
InChIInChI=1S/C96H65N9/c1-96(2)88-41-10-9-40-86(88)87-43-42-78(57-89(87)96)94-103-93(74-34-14-24-64(49-74)62-20-5-3-6-21-62)104-95(105-94)83-54-81(63-22-7-4-8-23-63)53-82(55-83)85-56-84(60-99-61-85)73-33-13-27-67(48-73)70-30-17-37-77(52-70)92-101-90(75-35-15-28-68(50-75)65-25-11-31-71(46-65)79-38-18-44-97-58-79)100-91(102-92)76-36-16-29-69(51-76)66-26-12-32-72(47-66)80-39-19-45-98-59-80/h3-61H,1-2H3
InChIKeyFKYIJXCYPFCXOL-UHFFFAOYSA-N
XLogP23.55
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001344.64
LogP ≤ 523.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[3-[5-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3-pyridinyl]-5-phenylphenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3-pyridinyl]-5-phenylphenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-[5-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3-pyridinyl]-5-phenylphenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine (CID 138744474) is 2-[3-[5-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3-pyridinyl]-5-phenylphenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-[5-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3-pyridinyl]-5-phenylphenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-[5-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3-pyridinyl]-5-phenylphenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)cc(-c5cncc(-c6cccc(-c7cccc(-c8nc(-c9cccc(-c%10cccc(-c%11cccnc%11)c%10)c9)nc(-c9cccc(-c%10cccc(-c%11cccnc%11)c%10)c9)n8)c7)c6)c5)c4)n3)cc21.
What is the InChIKey of 2-[3-[5-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3-pyridinyl]-5-phenylphenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is FKYIJXCYPFCXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H65N9/c1-96(2)88-41-10-9-40-86(88)87-43-42-78(57-89(87)96)94-103-93(74-34-14-24-64(49-74)62-20-5-3-6-21-62)104-95(105-94)83-54-81(63-22-7-4-8-23-63)53-82(55-83)85-56-84(60-99-61-85)73-33-13-27-67(48-73)70-30-17-37-77(52-70)92-101-90(75-35-15-28-68(50-75)65-25-11-31-71(46-65)79-38-18-44-97-58-79)100-91(102-92)76-36-16-29-69(51-76)66-26-12-32-72(47-66)80-39-19-45-98-59-80/h3-61H,1-2H3.
What are the key properties of 2-[3-[5-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3-pyridinyl]-5-phenylphenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
2-[3-[5-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3-pyridinyl]-5-phenylphenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 1344.64 g/mol, XLogP of 23.55, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3-pyridinyl]-5-phenylphenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 138744474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).