3-[4-[4-[4-(6-benzo[a]carbazol-11-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole

C98H58N8O2 — CID 146491418

About 3-[4-[4-[4-(6-benzo[a]carbazol-11-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole

3-[4-[4-[4-(6-benzo[a]carbazol-11-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole (PubChem CID 146491418) has the molecular formula C98H58N8O2 and a molecular weight of 1379.60 g/mol. Its IUPAC name is 3-[4-[4-[4-(6-benzo[a]carbazol-11-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 3-[4-[4-[4-(6-benzo[a]carbazol-11-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
• PubChem CID: 146491418
• Molecular Formula: C98H58N8O2
• Molecular Weight: 1379.60 g/mol
• Exact Mass: 1378.47
• IUPAC Name: 3-[4-[4-[4-(6-benzo[a]carbazol-11-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6c(-n7c8cc(-c9ccc(-c%10ccc(-c%11nc(-c%12ccccc%12)nc(-c%12cccc%13oc%14c(-n%15c%16ccccc%16c%16ccc%17ccccc%17c%16%15)cccc%14c%12%13)n%11)cc%10)cc9)ccc8c8cc9ccccc9cc87)cccc6c45)n3)cc2)cc1
• InChI: InChI=1S/C98H58N8O2/c1-4-20-59(21-5-1)60-44-48-67(49-45-60)95-99-93(65-23-6-2-7-24-65)101-97(103-95)78-33-18-38-86-88(78)76-31-16-36-82(91(76)107-86)105-84-58-71(53-54-74(84)80-56-69-27-10-11-28-70(69)57-85(80)105)63-42-40-61(41-43-63)62-46-50-68(51-47-62)96-100-94(66-25-8-3-9-26-66)102-98(104-96)79-34-19-39-87-89(79)77-32-17-37-83(92(77)108-87)106-81-35-15-14-30-73(81)75-55-52-64-22-12-13-29-72(64)90(75)106/h1-58H
• InChIKey: HXIUVANKORLFSW-UHFFFAOYSA-N
• XLogP: 25.36
• TPSA: 113.48 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1379.60
LogP ≤ 5	25.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[4-(6-benzo[a]carbazol-11-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole?

The IUPAC name of 3-[4-[4-[4-(6-benzo[a]carbazol-11-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole (CID 146491418) is 3-[4-[4-[4-(6-benzo[a]carbazol-11-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole.

What is the SMILES notation for 3-[4-[4-[4-(6-benzo[a]carbazol-11-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole?

The canonical SMILES for 3-[4-[4-[4-(6-benzo[a]carbazol-11-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6c(-n7c8cc(-c9ccc(-c%10ccc(-c%11nc(-c%12ccccc%12)nc(-c%12cccc%13oc%14c(-n%15c%16ccccc%16c%16ccc%17ccccc%17c%16%15)cccc%14c%12%13)n%11)cc%10)cc9)ccc8c8cc9ccccc9cc87)cccc6c45)n3)cc2)cc1.

What is the InChIKey of 3-[4-[4-[4-(6-benzo[a]carbazol-11-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole?

The InChIKey is HXIUVANKORLFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H58N8O2/c1-4-20-59(21-5-1)60-44-48-67(49-45-60)95-99-93(65-23-6-2-7-24-65)101-97(103-95)78-33-18-38-86-88(78)76-31-16-36-82(91(76)107-86)105-84-58-71(53-54-74(84)80-56-69-27-10-11-28-70(69)57-85(80)105)63-42-40-61(41-43-63)62-46-50-68(51-47-62)96-100-94(66-25-8-3-9-26-66)102-98(104-96)79-34-19-39-87-89(79)77-32-17-37-83(92(77)108-87)106-81-35-15-14-30-73(81)75-55-52-64-22-12-13-29-72(64)90(75)106/h1-58H.

What are the key properties of 3-[4-[4-[4-(6-benzo[a]carbazol-11-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole?

3-[4-[4-[4-(6-benzo[a]carbazol-11-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole has a molecular weight of 1379.60 g/mol, XLogP of 25.36, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-[4-(6-benzo[a]carbazol-11-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole is sourced from PubChem (CID 146491418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).