2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-1,3,5-triazine;2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine

C168H107N9OS2 — CID 163568534

IUPAC2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-1,3,5-triazine;2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4-c4cccc5sc6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6c45)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4cccc5sc6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6c45)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc34)n2)cc1
InChIInChI=1S/C64H41N3S.C58H37N3S.C46H29N3O/c1-4-17-42(18-5-1)44-31-35-46(36-32-44)61-65-62(47-37-33-45(34-38-47)43-19-6-2-7-20-43)67-63(66-61)54-26-11-10-23-50(54)53-27-16-30-59-60(53)55-41-49(39-40-58(55)68-59)64(48-21-8-3-9-22-48)56-28-14-12-24-51(56)52-25-13-15-29-57(52)64;1-4-18-38(19-5-1)40-22-16-23-41(36-40)56-59-55(39-20-6-2-7-21-39)60-57(61-56)48-29-11-10-26-44(48)47-30-17-33-53-54(47)49-37-43(34-35-52(49)62-53)58(42-24-8-3-9-25-42)50-31-14-12-27-45(50)46-28-13-15-32-51(46)58;1-4-14-30(15-5-1)43-47-44(31-16-6-2-7-17-31)49-45(48-43)32-24-26-37-38-27-25-34(29-42(38)50-41(37)28-32)46(33-18-8-3-9-19-33)39-22-12-10-20-35(39)36-21-11-13-23-40(36)46/h1-41H;1-37H;1-29H
InChIKeyFXFZHQONGTZYFJ-UHFFFAOYSA-N
MW2331.90 g/mol
LogP42.68
Rot. Bonds20

About 2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-1,3,5-triazine;2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine

2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-1,3,5-triazine;2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 163568534) has the molecular formula C168H107N9OS2 and a molecular weight of 2331.90 g/mol. Its IUPAC name is 2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-1,3,5-triazine;2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-1,3,5-triazine;2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID163568534
Molecular FormulaC168H107N9OS2
Molecular Weight2331.90 g/mol
Exact Mass2329.80
IUPAC Name2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-1,3,5-triazine;2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4-c4cccc5sc6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6c45)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4cccc5sc6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6c45)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc34)n2)cc1
InChIInChI=1S/C64H41N3S.C58H37N3S.C46H29N3O/c1-4-17-42(18-5-1)44-31-35-46(36-32-44)61-65-62(47-37-33-45(34-38-47)43-19-6-2-7-20-43)67-63(66-61)54-26-11-10-23-50(54)53-27-16-30-59-60(53)55-41-49(39-40-58(55)68-59)64(48-21-8-3-9-22-48)56-28-14-12-24-51(56)52-25-13-15-29-57(52)64;1-4-18-38(19-5-1)40-22-16-23-41(36-40)56-59-55(39-20-6-2-7-21-39)60-57(61-56)48-29-11-10-26-44(48)47-30-17-33-53-54(47)49-37-43(34-35-52(49)62-53)58(42-24-8-3-9-25-42)50-31-14-12-27-45(50)46-28-13-15-32-51(46)58;1-4-14-30(15-5-1)43-47-44(31-16-6-2-7-17-31)49-45(48-43)32-24-26-37-38-27-25-34(29-42(38)50-41(37)28-32)46(33-18-8-3-9-19-33)39-22-12-10-20-35(39)36-21-11-13-23-40(36)46/h1-41H;1-37H;1-29H
InChIKeyFXFZHQONGTZYFJ-UHFFFAOYSA-N
XLogP42.68
TPSA129.15 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms180
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002331.90
LogP ≤ 542.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-1,3,5-triazine;2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-1,3,5-triazine;2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-1,3,5-triazine;2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine (CID 163568534) is 2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-1,3,5-triazine;2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-1,3,5-triazine;2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-1,3,5-triazine;2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4-c4cccc5sc6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6c45)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4cccc5sc6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6c45)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc34)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-1,3,5-triazine;2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is FXFZHQONGTZYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N3S.C58H37N3S.C46H29N3O/c1-4-17-42(18-5-1)44-31-35-46(36-32-44)61-65-62(47-37-33-45(34-38-47)43-19-6-2-7-20-43)67-63(66-61)54-26-11-10-23-50(54)53-27-16-30-59-60(53)55-41-49(39-40-58(55)68-59)64(48-21-8-3-9-22-48)56-28-14-12-24-51(56)52-25-13-15-29-57(52)64;1-4-18-38(19-5-1)40-22-16-23-41(36-40)56-59-55(39-20-6-2-7-21-39)60-57(61-56)48-29-11-10-26-44(48)47-30-17-33-53-54(47)49-37-43(34-35-52(49)62-53)58(42-24-8-3-9-25-42)50-31-14-12-27-45(50)46-28-13-15-32-51(46)58;1-4-14-30(15-5-1)43-47-44(31-16-6-2-7-17-31)49-45(48-43)32-24-26-37-38-27-25-34(29-42(38)50-41(37)28-32)46(33-18-8-3-9-19-33)39-22-12-10-20-35(39)36-21-11-13-23-40(36)46/h1-41H;1-37H;1-29H.
What are the key properties of 2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-1,3,5-triazine;2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-1,3,5-triazine;2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 2331.90 g/mol, XLogP of 42.68, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-1,3,5-triazine;2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 163568534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).