2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole

C168H104N10O3S2 — CID 157108991

IUPAC2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccc(-c6cc7ccccc7o6)cc5)nc(-c5ccc6c(c5)sc5ccccc56)n4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccc(-c6cc7ccccc7o6)cc5)nc(-c5cccc6c5sc5ccccc56)n4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccc(-c6cc7ccccc7o6)cc5)nc(-c5ccccc5-n5c6ccccc6c6ccccc65)n4)cccc32)cc1
InChIInChI=1S/C60H38N4O.2C54H33N3OS/c1-3-19-42(20-4-1)60(43-21-5-2-6-22-43)49-28-12-8-25-46(49)56-48(27-17-29-50(56)60)59-62-57(40-36-34-39(35-37-40)55-38-41-18-7-16-33-54(41)65-55)61-58(63-59)47-26-11-15-32-53(47)64-51-30-13-9-23-44(51)45-24-10-14-31-52(45)64;1-3-16-37(17-4-1)54(38-18-5-2-6-19-38)44-25-10-8-21-41(44)49-42(23-14-26-45(49)54)52-55-51(35-31-29-34(30-32-35)47-33-36-15-7-11-27-46(36)58-47)56-53(57-52)43-24-13-22-40-39-20-9-12-28-48(39)59-50(40)43;1-3-15-38(16-4-1)54(39-17-5-2-6-18-39)44-22-10-8-20-42(44)50-43(21-13-23-45(50)54)53-56-51(35-28-26-34(27-29-35)47-32-36-14-7-11-24-46(36)58-47)55-52(57-53)37-30-31-41-40-19-9-12-25-48(40)59-49(41)33-37/h1-38H;2*1-33H
InChIKeyAGPYNIXIGXYFJQ-UHFFFAOYSA-N
MW2374.88 g/mol
LogP42.78
Rot. Bonds19

About 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole

2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 157108991) has the molecular formula C168H104N10O3S2 and a molecular weight of 2374.88 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID157108991
Molecular FormulaC168H104N10O3S2
Molecular Weight2374.88 g/mol
Exact Mass2372.77
IUPAC Name2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccc(-c6cc7ccccc7o6)cc5)nc(-c5ccc6c(c5)sc5ccccc56)n4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccc(-c6cc7ccccc7o6)cc5)nc(-c5cccc6c5sc5ccccc56)n4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccc(-c6cc7ccccc7o6)cc5)nc(-c5ccccc5-n5c6ccccc6c6ccccc65)n4)cccc32)cc1
InChIInChI=1S/C60H38N4O.2C54H33N3OS/c1-3-19-42(20-4-1)60(43-21-5-2-6-22-43)49-28-12-8-25-46(49)56-48(27-17-29-50(56)60)59-62-57(40-36-34-39(35-37-40)55-38-41-18-7-16-33-54(41)65-55)61-58(63-59)47-26-11-15-32-53(47)64-51-30-13-9-23-44(51)45-24-10-14-31-52(45)64;1-3-16-37(17-4-1)54(38-18-5-2-6-19-38)44-25-10-8-21-41(44)49-42(23-14-26-45(49)54)52-55-51(35-31-29-34(30-32-35)47-33-36-15-7-11-27-46(36)58-47)56-53(57-52)43-24-13-22-40-39-20-9-12-28-48(39)59-50(40)43;1-3-15-38(16-4-1)54(39-17-5-2-6-18-39)44-22-10-8-20-42(44)50-43(21-13-23-45(50)54)53-56-51(35-28-26-34(27-29-35)47-32-36-14-7-11-24-46(36)58-47)55-52(57-53)37-30-31-41-40-19-9-12-25-48(40)59-49(41)33-37/h1-38H;2*1-33H
InChIKeyAGPYNIXIGXYFJQ-UHFFFAOYSA-N
XLogP42.78
TPSA160.36 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002374.88
LogP ≤ 542.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 157108991) is 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccc(-c6cc7ccccc7o6)cc5)nc(-c5ccc6c(c5)sc5ccccc56)n4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccc(-c6cc7ccccc7o6)cc5)nc(-c5cccc6c5sc5ccccc56)n4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccc(-c6cc7ccccc7o6)cc5)nc(-c5ccccc5-n5c6ccccc6c6ccccc65)n4)cccc32)cc1.
What is the InChIKey of 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is AGPYNIXIGXYFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4O.2C54H33N3OS/c1-3-19-42(20-4-1)60(43-21-5-2-6-22-43)49-28-12-8-25-46(49)56-48(27-17-29-50(56)60)59-62-57(40-36-34-39(35-37-40)55-38-41-18-7-16-33-54(41)65-55)61-58(63-59)47-26-11-15-32-53(47)64-51-30-13-9-23-44(51)45-24-10-14-31-52(45)64;1-3-16-37(17-4-1)54(38-18-5-2-6-19-38)44-25-10-8-21-41(44)49-42(23-14-26-45(49)54)52-55-51(35-31-29-34(30-32-35)47-33-36-15-7-11-27-46(36)58-47)56-53(57-52)43-24-13-22-40-39-20-9-12-28-48(39)59-50(40)43;1-3-15-38(16-4-1)54(39-17-5-2-6-18-39)44-22-10-8-20-42(44)50-43(21-13-23-45(50)54)53-56-51(35-28-26-34(27-29-35)47-32-36-14-7-11-24-46(36)58-47)55-52(57-53)37-30-31-41-40-19-9-12-25-48(40)59-49(41)33-37/h1-38H;2*1-33H.
What are the key properties of 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole?
2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 2374.88 g/mol, XLogP of 42.78, 19 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 157108991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).