2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine

C132H87N9OS5 — CID 159464672

About 2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine

2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine (PubChem CID 159464672) has the molecular formula C132H87N9OS5 and a molecular weight of 1975.54 g/mol. Its IUPAC name is 2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine
• PubChem CID: 159464672
• Molecular Formula: C132H87N9OS5
• Molecular Weight: 1975.54 g/mol
• Exact Mass: 1973.56
• IUPAC Name: 2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-c5cc6ccccc6s5)cc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cccc21.CC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-c5cc6ccccc6s5)cc4)nc(-c4ccc5c(c4)sc4ccccc45)n3)cccc21.CC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-c5cc6ccccc6s5)cc4)nc(-c4cccc5c4sc4ccccc45)n3)cccc21
• InChI: InChI=1S/C44H29N3OS.2C44H29N3S2/c1-44(2)34-14-6-4-12-32(34)40-33(13-9-15-35(40)44)43-46-41(27-20-18-26(19-21-27)39-25-28-10-3-8-17-38(28)49-39)45-42(47-43)29-22-23-31-30-11-5-7-16-36(30)48-37(31)24-29;1-44(2)34-17-6-4-13-31(34)39-32(15-10-18-35(39)44)42-45-41(27-23-21-26(22-24-27)38-25-28-11-3-7-19-36(28)48-38)46-43(47-42)33-16-9-14-30-29-12-5-8-20-37(29)49-40(30)33;1-44(2)34-14-6-4-12-32(34)40-33(13-9-15-35(40)44)43-46-41(27-20-18-26(19-21-27)38-24-28-10-3-7-16-36(28)48-38)45-42(47-43)29-22-23-31-30-11-5-8-17-37(30)49-39(31)25-29/h3*3-25H,1-2H3
• InChIKey: LVAKRLKYKJRHQK-UHFFFAOYSA-N
• XLogP: 36.82
• TPSA: 129.15 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1975.54
LogP ≤ 5	36.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine?

The IUPAC name of 2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine (CID 159464672) is 2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine.

What is the SMILES notation for 2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine?

The canonical SMILES for 2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-c5cc6ccccc6s5)cc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cccc21.CC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-c5cc6ccccc6s5)cc4)nc(-c4ccc5c(c4)sc4ccccc45)n3)cccc21.CC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-c5cc6ccccc6s5)cc4)nc(-c4cccc5c4sc4ccccc45)n3)cccc21.

What is the InChIKey of 2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine?

The InChIKey is LVAKRLKYKJRHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3OS.2C44H29N3S2/c1-44(2)34-14-6-4-12-32(34)40-33(13-9-15-35(40)44)43-46-41(27-20-18-26(19-21-27)39-25-28-10-3-8-17-38(28)49-39)45-42(47-43)29-22-23-31-30-11-5-7-16-36(30)48-37(31)24-29;1-44(2)34-17-6-4-13-31(34)39-32(15-10-18-35(39)44)42-45-41(27-23-21-26(22-24-27)38-25-28-11-3-7-19-36(28)48-38)46-43(47-42)33-16-9-14-30-29-12-5-8-20-37(29)49-40(30)33;1-44(2)34-14-6-4-12-32(34)40-33(13-9-15-35(40)44)43-46-41(27-20-18-26(19-21-27)38-24-28-10-3-7-16-36(28)48-38)45-42(47-43)29-22-23-31-30-11-5-8-17-37(30)49-39(31)25-29/h3*3-25H,1-2H3.

What are the key properties of 2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine?

2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine has a molecular weight of 1975.54 g/mol, XLogP of 36.82, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine is sourced from PubChem (CID 159464672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).