3-[9-[4-naphthalen-2-yl-6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole

C73H43N5O2 — CID 167377389

About 3-[9-[4-naphthalen-2-yl-6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole

3-[9-[4-naphthalen-2-yl-6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole (PubChem CID 167377389) has the molecular formula C73H43N5O2 and a molecular weight of 1022.18 g/mol. Its IUPAC name is 3-[9-[4-naphthalen-2-yl-6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[9-[4-naphthalen-2-yl-6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
• PubChem CID: 167377389
• Molecular Formula: C73H43N5O2
• Molecular Weight: 1022.18 g/mol
• Exact Mass: 1021.34
• IUPAC Name: 3-[9-[4-naphthalen-2-yl-6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(-c7nc(-c8ccc9ccccc9c8)nc(-c8cccc9oc%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)cc%10c89)n7)c6c5c4)ccc32)cc1
• InChI: InChI=1S/C73H43N5O2/c1-3-17-51(18-4-1)77-61-25-11-9-21-53(61)57-40-46(31-35-63(57)77)48-33-37-65-59(42-48)69-55(23-13-27-67(69)79-65)72-74-71(50-30-29-44-15-7-8-16-45(44)39-50)75-73(76-72)56-24-14-28-68-70(56)60-43-49(34-38-66(60)80-68)47-32-36-64-58(41-47)54-22-10-12-26-62(54)78(64)52-19-5-2-6-20-52/h1-43H
• InChIKey: JBSSLNBEOUHFQF-UHFFFAOYSA-N
• XLogP: 19.35
• TPSA: 74.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1022.18
LogP ≤ 5	19.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-naphthalen-2-yl-6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole?

The IUPAC name of 3-[9-[4-naphthalen-2-yl-6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole (CID 167377389) is 3-[9-[4-naphthalen-2-yl-6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole.

What is the SMILES notation for 3-[9-[4-naphthalen-2-yl-6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole?

The canonical SMILES for 3-[9-[4-naphthalen-2-yl-6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(-c7nc(-c8ccc9ccccc9c8)nc(-c8cccc9oc%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)cc%10c89)n7)c6c5c4)ccc32)cc1.

What is the InChIKey of 3-[9-[4-naphthalen-2-yl-6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole?

The InChIKey is JBSSLNBEOUHFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H43N5O2/c1-3-17-51(18-4-1)77-61-25-11-9-21-53(61)57-40-46(31-35-63(57)77)48-33-37-65-59(42-48)69-55(23-13-27-67(69)79-65)72-74-71(50-30-29-44-15-7-8-16-45(44)39-50)75-73(76-72)56-24-14-28-68-70(56)60-43-49(34-38-66(60)80-68)47-32-36-64-58(41-47)54-22-10-12-26-62(54)78(64)52-19-5-2-6-20-52/h1-43H.

What are the key properties of 3-[9-[4-naphthalen-2-yl-6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole?

3-[9-[4-naphthalen-2-yl-6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole has a molecular weight of 1022.18 g/mol, XLogP of 19.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[4-naphthalen-2-yl-6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 167377389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).