2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[11-(4-pyridin-3-ylphenyl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine

C58H36N4O — CID 165150397

About 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[11-(4-pyridin-3-ylphenyl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine

2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[11-(4-pyridin-3-ylphenyl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine (PubChem CID 165150397) has the molecular formula C58H36N4O and a molecular weight of 804.95 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[11-(4-pyridin-3-ylphenyl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[11-(4-pyridin-3-ylphenyl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine
• PubChem CID: 165150397
• Molecular Formula: C58H36N4O
• Molecular Weight: 804.95 g/mol
• Exact Mass: 804.29
• IUPAC Name: 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[11-(4-pyridin-3-ylphenyl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7cccnc7)cc6)ccc54)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1
• InChI: InChI=1S/C58H36N4O/c1-2-10-35(11-3-1)36-23-25-39(26-24-36)56-60-57(62-58(61-56)49-17-8-16-48-43-13-6-7-18-52(43)63-55(48)49)41-28-30-47-51(33-41)54-45-15-5-4-14-44(45)53(47)50-32-40(27-29-46(50)54)37-19-21-38(22-20-37)42-12-9-31-59-34-42/h1-34,53-54H
• InChIKey: LTMMUJUTCPVOHH-UHFFFAOYSA-N
• XLogP: 14.16
• TPSA: 64.70 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.95
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[11-(4-pyridin-3-ylphenyl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[11-(4-pyridin-3-ylphenyl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine (CID 165150397) is 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[11-(4-pyridin-3-ylphenyl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[11-(4-pyridin-3-ylphenyl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[11-(4-pyridin-3-ylphenyl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7cccnc7)cc6)ccc54)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1.

What is the InChIKey of 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[11-(4-pyridin-3-ylphenyl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine?

The InChIKey is LTMMUJUTCPVOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4O/c1-2-10-35(11-3-1)36-23-25-39(26-24-36)56-60-57(62-58(61-56)49-17-8-16-48-43-13-6-7-18-52(43)63-55(48)49)41-28-30-47-51(33-41)54-45-15-5-4-14-44(45)53(47)50-32-40(27-29-46(50)54)37-19-21-38(22-20-37)42-12-9-31-59-34-42/h1-34,53-54H.

What are the key properties of 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[11-(4-pyridin-3-ylphenyl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine?

2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[11-(4-pyridin-3-ylphenyl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine has a molecular weight of 804.95 g/mol, XLogP of 14.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[11-(4-pyridin-3-ylphenyl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine is sourced from PubChem (CID 165150397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).