2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;[4-[4-[4-[8-[4-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]methanol;2-(2-methylphenyl)-4-[4-[8-[4-[4-(2-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine

C166H110N18O2S3 — CID 161287809

IUPAC2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;[4-[4-[4-[8-[4-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]methanol;2-(2-methylphenyl)-4-[4-[8-[4-[4-(2-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
SMILESCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5sc6ccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccc(CO)cc9)n8)cc7)cc6c5c4)cc3)n2)cc1.Cc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccc4sc5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8C)n7)cc6)cc5c4c3)cc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5sc6ccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)cc6c5c4)cc3)n2)cc1
InChIInChI=1S/C56H38N6O2S.C56H38N6S.C54H34N6S/c1-64-46-28-24-43(25-29-46)56-60-52(39-10-6-3-7-11-39)59-55(62-56)42-22-18-37(19-23-42)45-27-31-50-48(33-45)47-32-44(26-30-49(47)65-50)36-16-20-41(21-17-36)54-58-51(38-8-4-2-5-9-38)57-53(61-54)40-14-12-35(34-63)13-15-40;1-35-13-9-11-19-45(35)55-59-51(39-15-5-3-6-16-39)57-53(61-55)41-25-21-37(22-26-41)43-29-31-49-47(33-43)48-34-44(30-32-50(48)63-49)38-23-27-42(28-24-38)54-58-52(40-17-7-4-8-18-40)60-56(62-54)46-20-12-10-14-36(46)2;1-5-13-37(14-6-1)49-55-50(38-15-7-2-8-16-38)58-53(57-49)41-25-21-35(22-26-41)43-29-31-47-45(33-43)46-34-44(30-32-48(46)61-47)36-23-27-42(28-24-36)54-59-51(39-17-9-3-10-18-39)56-52(60-54)40-19-11-4-12-20-40/h2-33,63H,34H2,1H3;3-34H,1-2H3;1-34H
InChIKeyVFYJJPVFTAINGX-UHFFFAOYSA-N
MW2485.03 g/mol
LogP41.40
Rot. Bonds26

About 2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;[4-[4-[4-[8-[4-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]methanol;2-(2-methylphenyl)-4-[4-[8-[4-[4-(2-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine

2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;[4-[4-[4-[8-[4-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]methanol;2-(2-methylphenyl)-4-[4-[8-[4-[4-(2-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 161287809) has the molecular formula C166H110N18O2S3 and a molecular weight of 2485.03 g/mol. Its IUPAC name is 2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;[4-[4-[4-[8-[4-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]methanol;2-(2-methylphenyl)-4-[4-[8-[4-[4-(2-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;[4-[4-[4-[8-[4-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]methanol;2-(2-methylphenyl)-4-[4-[8-[4-[4-(2-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
PubChem CID161287809
Molecular FormulaC166H110N18O2S3
Molecular Weight2485.03 g/mol
Exact Mass2482.82
IUPAC Name2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;[4-[4-[4-[8-[4-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]methanol;2-(2-methylphenyl)-4-[4-[8-[4-[4-(2-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
SMILESCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5sc6ccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccc(CO)cc9)n8)cc7)cc6c5c4)cc3)n2)cc1.Cc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccc4sc5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8C)n7)cc6)cc5c4c3)cc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5sc6ccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)cc6c5c4)cc3)n2)cc1
InChIInChI=1S/C56H38N6O2S.C56H38N6S.C54H34N6S/c1-64-46-28-24-43(25-29-46)56-60-52(39-10-6-3-7-11-39)59-55(62-56)42-22-18-37(19-23-42)45-27-31-50-48(33-45)47-32-44(26-30-49(47)65-50)36-16-20-41(21-17-36)54-58-51(38-8-4-2-5-9-38)57-53(61-54)40-14-12-35(34-63)13-15-40;1-35-13-9-11-19-45(35)55-59-51(39-15-5-3-6-16-39)57-53(61-55)41-25-21-37(22-26-41)43-29-31-49-47(33-43)48-34-44(30-32-50(48)63-49)38-23-27-42(28-24-38)54-58-52(40-17-7-4-8-18-40)60-56(62-54)46-20-12-10-14-36(46)2;1-5-13-37(14-6-1)49-55-50(38-15-7-2-8-16-38)58-53(57-49)41-25-21-35(22-26-41)43-29-31-47-45(33-43)46-34-44(30-32-48(46)61-47)36-23-27-42(28-24-36)54-59-51(39-17-9-3-10-18-39)56-52(60-54)40-19-11-4-12-20-40/h2-33,63H,34H2,1H3;3-34H,1-2H3;1-34H
InChIKeyVFYJJPVFTAINGX-UHFFFAOYSA-N
XLogP41.40
TPSA261.48 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds26
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002485.03
LogP ≤ 541.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Analyze 2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;[4-[4-[4-[8-[4-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]methanol;2-(2-methylphenyl)-4-[4-[8-[4-[4-(2-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;[4-[4-[4-[8-[4-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]methanol;2-(2-methylphenyl)-4-[4-[8-[4-[4-(2-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;[4-[4-[4-[8-[4-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]methanol;2-(2-methylphenyl)-4-[4-[8-[4-[4-(2-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine (CID 161287809) is 2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;[4-[4-[4-[8-[4-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]methanol;2-(2-methylphenyl)-4-[4-[8-[4-[4-(2-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;[4-[4-[4-[8-[4-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]methanol;2-(2-methylphenyl)-4-[4-[8-[4-[4-(2-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;[4-[4-[4-[8-[4-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]methanol;2-(2-methylphenyl)-4-[4-[8-[4-[4-(2-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine is COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5sc6ccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccc(CO)cc9)n8)cc7)cc6c5c4)cc3)n2)cc1.Cc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccc4sc5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8C)n7)cc6)cc5c4c3)cc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5sc6ccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)cc6c5c4)cc3)n2)cc1.
What is the InChIKey of 2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;[4-[4-[4-[8-[4-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]methanol;2-(2-methylphenyl)-4-[4-[8-[4-[4-(2-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is VFYJJPVFTAINGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N6O2S.C56H38N6S.C54H34N6S/c1-64-46-28-24-43(25-29-46)56-60-52(39-10-6-3-7-11-39)59-55(62-56)42-22-18-37(19-23-42)45-27-31-50-48(33-45)47-32-44(26-30-49(47)65-50)36-16-20-41(21-17-36)54-58-51(38-8-4-2-5-9-38)57-53(61-54)40-14-12-35(34-63)13-15-40;1-35-13-9-11-19-45(35)55-59-51(39-15-5-3-6-16-39)57-53(61-55)41-25-21-37(22-26-41)43-29-31-49-47(33-43)48-34-44(30-32-50(48)63-49)38-23-27-42(28-24-38)54-58-52(40-17-7-4-8-18-40)60-56(62-54)46-20-12-10-14-36(46)2;1-5-13-37(14-6-1)49-55-50(38-15-7-2-8-16-38)58-53(57-49)41-25-21-35(22-26-41)43-29-31-47-45(33-43)46-34-44(30-32-48(46)61-47)36-23-27-42(28-24-36)54-59-51(39-17-9-3-10-18-39)56-52(60-54)40-19-11-4-12-20-40/h2-33,63H,34H2,1H3;3-34H,1-2H3;1-34H.
What are the key properties of 2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;[4-[4-[4-[8-[4-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]methanol;2-(2-methylphenyl)-4-[4-[8-[4-[4-(2-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;[4-[4-[4-[8-[4-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]methanol;2-(2-methylphenyl)-4-[4-[8-[4-[4-(2-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 2485.03 g/mol, XLogP of 41.40, 26 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;[4-[4-[4-[8-[4-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]methanol;2-(2-methylphenyl)-4-[4-[8-[4-[4-(2-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 161287809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).