3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[4-[6-[6-[3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]dibenzothiophen-1-yl]-2-pyridinyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]carbazole

C98H56N14OS — CID 146175660

About 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[4-[6-[6-[3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]dibenzothiophen-1-yl]-2-pyridinyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]carbazole

3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[4-[6-[6-[3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]dibenzothiophen-1-yl]-2-pyridinyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]carbazole (PubChem CID 146175660) has the molecular formula C98H56N14OS and a molecular weight of 1477.69 g/mol. Its IUPAC name is 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[4-[6-[6-[3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]dibenzothiophen-1-yl]-2-pyridinyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[4-[6-[6-[3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]dibenzothiophen-1-yl]-2-pyridinyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 146175660
• Molecular Formula: C98H56N14OS
• Molecular Weight: 1477.69 g/mol
• Exact Mass: 1476.45
• IUPAC Name: 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[4-[6-[6-[3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]dibenzothiophen-1-yl]-2-pyridinyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccn3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5sc5cccc(-c7cccc(-c8nc(-c9ccccn9)nc(-n9c%10ccccc%10c%10cc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11cccc%12c%11oc%11ccccc%11%12)ccc%109)n8)n7)c56)ccc43)n2)nc1
• InChI: InChI=1S/C98H56N14OS/c1-6-34-78-61(21-1)69-53-57(42-46-82(69)109(78)86-38-17-26-66-65-25-5-10-40-88(65)113-91(66)86)59-45-49-85-72(55-59)64-24-4-9-37-81(64)112(85)98-107-95(76-31-13-16-52-101-76)104-96(108-98)77-33-20-32-73(102-77)67-27-19-41-89-90(67)68-28-18-39-87(92(68)114-89)110-79-35-7-2-22-62(79)70-54-58(43-47-83(70)110)60-44-48-84-71(56-60)63-23-3-8-36-80(63)111(84)97-105-93(74-29-11-14-50-99-74)103-94(106-97)75-30-12-15-51-100-75/h1-56H
• InChIKey: GOVOLSPJQNZTDQ-UHFFFAOYSA-N
• XLogP: 23.96
• TPSA: 161.76 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1477.69
LogP ≤ 5	23.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[4-[6-[6-[3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]dibenzothiophen-1-yl]-2-pyridinyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]carbazole?

The IUPAC name of 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[4-[6-[6-[3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]dibenzothiophen-1-yl]-2-pyridinyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]carbazole (CID 146175660) is 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[4-[6-[6-[3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]dibenzothiophen-1-yl]-2-pyridinyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]carbazole.

What is the SMILES notation for 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[4-[6-[6-[3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]dibenzothiophen-1-yl]-2-pyridinyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]carbazole?

The canonical SMILES for 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[4-[6-[6-[3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]dibenzothiophen-1-yl]-2-pyridinyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2nc(-c3ccccn3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5sc5cccc(-c7cccc(-c8nc(-c9ccccn9)nc(-n9c%10ccccc%10c%10cc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11cccc%12c%11oc%11ccccc%11%12)ccc%109)n8)n7)c56)ccc43)n2)nc1.

What is the InChIKey of 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[4-[6-[6-[3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]dibenzothiophen-1-yl]-2-pyridinyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]carbazole?

The InChIKey is GOVOLSPJQNZTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H56N14OS/c1-6-34-78-61(21-1)69-53-57(42-46-82(69)109(78)86-38-17-26-66-65-25-5-10-40-88(65)113-91(66)86)59-45-49-85-72(55-59)64-24-4-9-37-81(64)112(85)98-107-95(76-31-13-16-52-101-76)104-96(108-98)77-33-20-32-73(102-77)67-27-19-41-89-90(67)68-28-18-39-87(92(68)114-89)110-79-35-7-2-22-62(79)70-54-58(43-47-83(70)110)60-44-48-84-71(56-60)63-23-3-8-36-80(63)111(84)97-105-93(74-29-11-14-50-99-74)103-94(106-97)75-30-12-15-51-100-75/h1-56H.

What are the key properties of 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[4-[6-[6-[3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]dibenzothiophen-1-yl]-2-pyridinyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]carbazole?

3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[4-[6-[6-[3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]dibenzothiophen-1-yl]-2-pyridinyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]carbazole has a molecular weight of 1477.69 g/mol, XLogP of 23.96, 11 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[4-[6-[6-[3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]dibenzothiophen-1-yl]-2-pyridinyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 146175660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).