9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-2-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-3-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-4-ylcarbazole

C150H93N15S3 — CID 163644947

IUPAC9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-2-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-3-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-4-ylcarbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccc(-c6ccccn6)cc54)cc4c3sc3c(-c5ccccc5)cccc34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccc(-c6cccnc6)cc54)cc4c3sc3c(-c5ccccc5)cccc34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccc(-c6ccncc6)cc54)cc4c3sc3c(-c5ccccc5)cccc34)n2)c([2H])c1[2H]
InChIInChI=1S/3C50H31N5S/c1-4-14-32(15-5-1)38-22-12-23-41-42-29-37(55-44-24-11-10-21-39(44)40-26-25-35(28-45(40)55)36-20-13-27-51-31-36)30-43(47(42)56-46(38)41)50-53-48(33-16-6-2-7-17-33)52-49(54-50)34-18-8-3-9-19-34;1-4-15-32(16-5-1)37-22-14-23-40-41-30-36(55-44-25-11-10-21-38(44)39-27-26-35(29-45(39)55)43-24-12-13-28-51-43)31-42(47(41)56-46(37)40)50-53-48(33-17-6-2-7-18-33)52-49(54-50)34-19-8-3-9-20-34;1-4-13-33(14-5-1)38-20-12-21-41-42-30-37(55-44-22-11-10-19-39(44)40-24-23-36(29-45(40)55)32-25-27-51-28-26-32)31-43(47(42)56-46(38)41)50-53-48(34-15-6-2-7-16-34)52-49(54-50)35-17-8-3-9-18-35/h3*1-31H/i2D,6D,7D,16D,17D;2D,6D,7D,17D,18D;2D,6D,7D,15D,16D
InChIKeyIHLHEBSUTOQVPY-SNPOWXCQSA-N
MW2216.79 g/mol
LogP39.20
Rot. Bonds18

About 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-2-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-3-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-4-ylcarbazole

9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-2-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-3-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-4-ylcarbazole (PubChem CID 163644947) has the molecular formula C150H93N15S3 and a molecular weight of 2216.79 g/mol. Its IUPAC name is 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-2-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-3-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-4-ylcarbazole.

Molecular Properties

Compound Name9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-2-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-3-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-4-ylcarbazole
PubChem CID163644947
Molecular FormulaC150H93N15S3
Molecular Weight2216.79 g/mol
Exact Mass2214.78
IUPAC Name9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-2-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-3-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-4-ylcarbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccc(-c6ccccn6)cc54)cc4c3sc3c(-c5ccccc5)cccc34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccc(-c6cccnc6)cc54)cc4c3sc3c(-c5ccccc5)cccc34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccc(-c6ccncc6)cc54)cc4c3sc3c(-c5ccccc5)cccc34)n2)c([2H])c1[2H]
InChIInChI=1S/3C50H31N5S/c1-4-14-32(15-5-1)38-22-12-23-41-42-29-37(55-44-24-11-10-21-39(44)40-26-25-35(28-45(40)55)36-20-13-27-51-31-36)30-43(47(42)56-46(38)41)50-53-48(33-16-6-2-7-17-33)52-49(54-50)34-18-8-3-9-19-34;1-4-15-32(16-5-1)37-22-14-23-40-41-30-36(55-44-25-11-10-21-38(44)39-27-26-35(29-45(39)55)43-24-12-13-28-51-43)31-42(47(41)56-46(37)40)50-53-48(33-17-6-2-7-18-33)52-49(54-50)34-19-8-3-9-20-34;1-4-13-33(14-5-1)38-20-12-21-41-42-30-37(55-44-22-11-10-19-39(44)40-24-23-36(29-45(40)55)32-25-27-51-28-26-32)31-43(47(42)56-46(38)41)50-53-48(34-15-6-2-7-16-34)52-49(54-50)35-17-8-3-9-18-35/h3*1-31H/i2D,6D,7D,16D,17D;2D,6D,7D,17D,18D;2D,6D,7D,15D,16D
InChIKeyIHLHEBSUTOQVPY-SNPOWXCQSA-N
XLogP39.20
TPSA169.47 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002216.79
LogP ≤ 539.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-2-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-3-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-4-ylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-2-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-3-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-4-ylcarbazole?
The IUPAC name of 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-2-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-3-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-4-ylcarbazole (CID 163644947) is 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-2-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-3-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-4-ylcarbazole.
What is the SMILES notation for 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-2-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-3-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-4-ylcarbazole?
The canonical SMILES for 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-2-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-3-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-4-ylcarbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccc(-c6ccccn6)cc54)cc4c3sc3c(-c5ccccc5)cccc34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccc(-c6cccnc6)cc54)cc4c3sc3c(-c5ccccc5)cccc34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccc(-c6ccncc6)cc54)cc4c3sc3c(-c5ccccc5)cccc34)n2)c([2H])c1[2H].
What is the InChIKey of 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-2-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-3-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-4-ylcarbazole?
The InChIKey is IHLHEBSUTOQVPY-SNPOWXCQSA-N. The full InChI is InChI=1S/3C50H31N5S/c1-4-14-32(15-5-1)38-22-12-23-41-42-29-37(55-44-24-11-10-21-39(44)40-26-25-35(28-45(40)55)36-20-13-27-51-31-36)30-43(47(42)56-46(38)41)50-53-48(33-16-6-2-7-17-33)52-49(54-50)34-18-8-3-9-19-34;1-4-15-32(16-5-1)37-22-14-23-40-41-30-36(55-44-25-11-10-21-38(44)39-27-26-35(29-45(39)55)43-24-12-13-28-51-43)31-42(47(41)56-46(37)40)50-53-48(33-17-6-2-7-18-33)52-49(54-50)34-19-8-3-9-20-34;1-4-13-33(14-5-1)38-20-12-21-41-42-30-37(55-44-22-11-10-19-39(44)40-24-23-36(29-45(40)55)32-25-27-51-28-26-32)31-43(47(42)56-46(38)41)50-53-48(34-15-6-2-7-16-34)52-49(54-50)35-17-8-3-9-18-35/h3*1-31H/i2D,6D,7D,16D,17D;2D,6D,7D,17D,18D;2D,6D,7D,15D,16D.
What are the key properties of 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-2-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-3-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-4-ylcarbazole?
9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-2-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-3-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-4-ylcarbazole has a molecular weight of 2216.79 g/mol, XLogP of 39.20, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-2-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-3-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-4-ylcarbazole is sourced from PubChem (CID 163644947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).