2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile;2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzonitrile;2,4,5-trideuterio-3-[4-dibenzothiophen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile

C180H102N18O2S3 — CID 158982209

About 2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile;2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzonitrile;2,4,5-trideuterio-3-[4-dibenzothiophen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile

2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile;2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzonitrile;2,4,5-trideuterio-3-[4-dibenzothiophen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile (PubChem CID 158982209) has the molecular formula C180H102N18O2S3 and a molecular weight of 2648.14 g/mol. Its IUPAC name is 2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile;2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzonitrile;2,4,5-trideuterio-3-[4-dibenzothiophen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile.

Molecular Properties

• Compound Name: 2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile;2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzonitrile;2,4,5-trideuterio-3-[4-dibenzothiophen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
• PubChem CID: 158982209
• Molecular Formula: C180H102N18O2S3
• Molecular Weight: 2648.14 g/mol
• Exact Mass: 2645.78
• IUPAC Name: 2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile;2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzonitrile;2,4,5-trideuterio-3-[4-dibenzothiophen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
• SMILES: N#Cc1cc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc4sc5ccccc5c4c3)n2)ccc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccc4oc5ccccc5c4c3)c21.N#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccc4sc5ccccc5c4c3)n2)ccc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccc4oc5ccccc5c4c3)c21.[2H]c1c([2H])c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(C#N)c([2H])c1-c1nc(-c2ccc3sc4ccccc4c3c2)nc(-c2ccccc2-c2ccccc2)n1
• InChI: InChI=1S/C64H36N6OS.C58H32N6OS.C58H34N6S/c65-37-43-34-41(63-66-62(40-24-22-39(23-25-40)38-12-2-1-3-13-38)67-64(68-63)42-27-33-59-51(35-42)47-16-7-11-21-58(47)72-59)26-30-52(43)70-53-18-8-4-14-45(53)48-29-31-55-60(61(48)70)49-17-5-9-19-54(49)69(55)44-28-32-57-50(36-44)46-15-6-10-20-56(46)71-57;59-33-37-30-35(57-60-56(34-12-2-1-3-13-34)61-58(62-57)36-23-29-53-45(31-36)41-16-7-11-21-52(41)66-53)22-26-46(37)64-47-18-8-4-14-39(47)42-25-27-49-54(55(42)64)43-17-5-9-19-48(43)63(49)38-24-28-51-44(32-38)40-15-6-10-20-50(40)65-51;59-35-39-33-37(27-30-48(39)64-49-24-12-9-20-42(49)44-29-31-51-54(55(44)64)46-23-10-13-25-50(46)63(51)40-17-5-2-6-18-40)56-60-57(38-28-32-53-47(34-38)43-21-11-14-26-52(43)65-53)62-58(61-56)45-22-8-7-19-41(45)36-15-3-1-4-16-36/h1-36H;1-32H;1-34H/i;;27D,30D,33D
• InChIKey: JPDHCENEVZIHPN-KWTGFAJUSA-N
• XLogP: 47.05
• TPSA: 243.24 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2648.14
LogP ≤ 5	47.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile;2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzonitrile;2,4,5-trideuterio-3-[4-dibenzothiophen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?

The IUPAC name of 2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile;2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzonitrile;2,4,5-trideuterio-3-[4-dibenzothiophen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile (CID 158982209) is 2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile;2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzonitrile;2,4,5-trideuterio-3-[4-dibenzothiophen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile.

What is the SMILES notation for 2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile;2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzonitrile;2,4,5-trideuterio-3-[4-dibenzothiophen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?

The canonical SMILES for 2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile;2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzonitrile;2,4,5-trideuterio-3-[4-dibenzothiophen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile is N#Cc1cc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc4sc5ccccc5c4c3)n2)ccc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccc4oc5ccccc5c4c3)c21.N#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccc4sc5ccccc5c4c3)n2)ccc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccc4oc5ccccc5c4c3)c21.[2H]c1c([2H])c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(C#N)c([2H])c1-c1nc(-c2ccc3sc4ccccc4c3c2)nc(-c2ccccc2-c2ccccc2)n1.

What is the InChIKey of 2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile;2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzonitrile;2,4,5-trideuterio-3-[4-dibenzothiophen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?

The InChIKey is JPDHCENEVZIHPN-KWTGFAJUSA-N. The full InChI is InChI=1S/C64H36N6OS.C58H32N6OS.C58H34N6S/c65-37-43-34-41(63-66-62(40-24-22-39(23-25-40)38-12-2-1-3-13-38)67-64(68-63)42-27-33-59-51(35-42)47-16-7-11-21-58(47)72-59)26-30-52(43)70-53-18-8-4-14-45(53)48-29-31-55-60(61(48)70)49-17-5-9-19-54(49)69(55)44-28-32-57-50(36-44)46-15-6-10-20-56(46)71-57;59-33-37-30-35(57-60-56(34-12-2-1-3-13-34)61-58(62-57)36-23-29-53-45(31-36)41-16-7-11-21-52(41)66-53)22-26-46(37)64-47-18-8-4-14-39(47)42-25-27-49-54(55(42)64)43-17-5-9-19-48(43)63(49)38-24-28-51-44(32-38)40-15-6-10-20-50(40)65-51;59-35-39-33-37(27-30-48(39)64-49-24-12-9-20-42(49)44-29-31-51-54(55(44)64)46-23-10-13-25-50(46)63(51)40-17-5-2-6-18-40)56-60-57(38-28-32-53-47(34-38)43-21-11-14-26-52(43)65-53)62-58(61-56)45-22-8-7-19-41(45)36-15-3-1-4-16-36/h1-36H;1-32H;1-34H/i;;27D,30D,33D.

What are the key properties of 2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile;2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzonitrile;2,4,5-trideuterio-3-[4-dibenzothiophen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?

2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile;2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzonitrile;2,4,5-trideuterio-3-[4-dibenzothiophen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile has a molecular weight of 2648.14 g/mol, XLogP of 47.05, 17 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile;2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzonitrile;2,4,5-trideuterio-3-[4-dibenzothiophen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile is sourced from PubChem (CID 158982209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).