2-[4-[2-[10-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-6-methylphenyl]-1,2,3,4,5,6,7,8-octafluoroanthracen-9-yl]-3-methylphenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine

C86H64F16N6 — CID 88981031

IUPAC2-[4-[2-[10-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-6-methylphenyl]-1,2,3,4,5,6,7,8-octafluoroanthracen-9-yl]-3-methylphenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
SMILESCc1cccc(-c2c(F)c(F)c(-c3nc(-c4ccc(C(C)(C)C)cc4)nc(-c4ccc(C(C)(C)C)cc4)n3)c(F)c2F)c1-c1c2c(F)c(F)c(F)c(F)c2c(-c2c(C)cccc2-c2c(F)c(F)c(-c3nc(-c4ccc(C(C)(C)C)cc4)nc(-c4ccc(C(C)(C)C)cc4)n3)c(F)c2F)c2c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C86H64F16N6/c1-37-17-15-19-47(51-61(87)69(95)59(70(96)62(51)88)81-105-77(39-21-29-43(30-22-39)83(3,4)5)103-78(106-81)40-23-31-44(32-24-40)84(6,7)8)49(37)53-55-57(67(93)75(101)73(99)65(55)91)54(58-56(53)66(92)74(100)76(102)68(58)94)50-38(2)18-16-20-48(50)52-63(89)71(97)60(72(98)64(52)90)82-107-79(41-25-33-45(34-26-41)85(9,10)11)104-80(108-82)42-27-35-46(36-28-42)86(12,13)14/h15-36H,1-14H3
InChIKeyKEKXOIPNCPRJFB-UHFFFAOYSA-N
MW1485.47 g/mol
LogP25.07
Rot. Bonds10

About 2-[4-[2-[10-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-6-methylphenyl]-1,2,3,4,5,6,7,8-octafluoroanthracen-9-yl]-3-methylphenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine

2-[4-[2-[10-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-6-methylphenyl]-1,2,3,4,5,6,7,8-octafluoroanthracen-9-yl]-3-methylphenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine (PubChem CID 88981031) has the molecular formula C86H64F16N6 and a molecular weight of 1485.47 g/mol. Its IUPAC name is 2-[4-[2-[10-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-6-methylphenyl]-1,2,3,4,5,6,7,8-octafluoroanthracen-9-yl]-3-methylphenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[2-[10-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-6-methylphenyl]-1,2,3,4,5,6,7,8-octafluoroanthracen-9-yl]-3-methylphenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
PubChem CID88981031
Molecular FormulaC86H64F16N6
Molecular Weight1485.47 g/mol
Exact Mass1484.49
IUPAC Name2-[4-[2-[10-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-6-methylphenyl]-1,2,3,4,5,6,7,8-octafluoroanthracen-9-yl]-3-methylphenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
SMILESCc1cccc(-c2c(F)c(F)c(-c3nc(-c4ccc(C(C)(C)C)cc4)nc(-c4ccc(C(C)(C)C)cc4)n3)c(F)c2F)c1-c1c2c(F)c(F)c(F)c(F)c2c(-c2c(C)cccc2-c2c(F)c(F)c(-c3nc(-c4ccc(C(C)(C)C)cc4)nc(-c4ccc(C(C)(C)C)cc4)n3)c(F)c2F)c2c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C86H64F16N6/c1-37-17-15-19-47(51-61(87)69(95)59(70(96)62(51)88)81-105-77(39-21-29-43(30-22-39)83(3,4)5)103-78(106-81)40-23-31-44(32-24-40)84(6,7)8)49(37)53-55-57(67(93)75(101)73(99)65(55)91)54(58-56(53)66(92)74(100)76(102)68(58)94)50-38(2)18-16-20-48(50)52-63(89)71(97)60(72(98)64(52)90)82-107-79(41-25-33-45(34-26-41)85(9,10)11)104-80(108-82)42-27-35-46(36-28-42)86(12,13)14/h15-36H,1-14H3
InChIKeyKEKXOIPNCPRJFB-UHFFFAOYSA-N
XLogP25.07
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001485.47
LogP ≤ 525.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-[4-[2-[10-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-6-methylphenyl]-1,2,3,4,5,6,7,8-octafluoroanthracen-9-yl]-3-methylphenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[10-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-6-methylphenyl]-1,2,3,4,5,6,7,8-octafluoroanthracen-9-yl]-3-methylphenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-[2-[10-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-6-methylphenyl]-1,2,3,4,5,6,7,8-octafluoroanthracen-9-yl]-3-methylphenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine (CID 88981031) is 2-[4-[2-[10-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-6-methylphenyl]-1,2,3,4,5,6,7,8-octafluoroanthracen-9-yl]-3-methylphenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-[2-[10-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-6-methylphenyl]-1,2,3,4,5,6,7,8-octafluoroanthracen-9-yl]-3-methylphenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-[2-[10-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-6-methylphenyl]-1,2,3,4,5,6,7,8-octafluoroanthracen-9-yl]-3-methylphenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine is Cc1cccc(-c2c(F)c(F)c(-c3nc(-c4ccc(C(C)(C)C)cc4)nc(-c4ccc(C(C)(C)C)cc4)n3)c(F)c2F)c1-c1c2c(F)c(F)c(F)c(F)c2c(-c2c(C)cccc2-c2c(F)c(F)c(-c3nc(-c4ccc(C(C)(C)C)cc4)nc(-c4ccc(C(C)(C)C)cc4)n3)c(F)c2F)c2c(F)c(F)c(F)c(F)c12.
What is the InChIKey of 2-[4-[2-[10-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-6-methylphenyl]-1,2,3,4,5,6,7,8-octafluoroanthracen-9-yl]-3-methylphenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine?
The InChIKey is KEKXOIPNCPRJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H64F16N6/c1-37-17-15-19-47(51-61(87)69(95)59(70(96)62(51)88)81-105-77(39-21-29-43(30-22-39)83(3,4)5)103-78(106-81)40-23-31-44(32-24-40)84(6,7)8)49(37)53-55-57(67(93)75(101)73(99)65(55)91)54(58-56(53)66(92)74(100)76(102)68(58)94)50-38(2)18-16-20-48(50)52-63(89)71(97)60(72(98)64(52)90)82-107-79(41-25-33-45(34-26-41)85(9,10)11)104-80(108-82)42-27-35-46(36-28-42)86(12,13)14/h15-36H,1-14H3.
What are the key properties of 2-[4-[2-[10-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-6-methylphenyl]-1,2,3,4,5,6,7,8-octafluoroanthracen-9-yl]-3-methylphenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine?
2-[4-[2-[10-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-6-methylphenyl]-1,2,3,4,5,6,7,8-octafluoroanthracen-9-yl]-3-methylphenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine has a molecular weight of 1485.47 g/mol, XLogP of 25.07, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[10-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-6-methylphenyl]-1,2,3,4,5,6,7,8-octafluoroanthracen-9-yl]-3-methylphenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine is sourced from PubChem (CID 88981031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).