1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole

C118H74N10O2 — CID 157459189

About 1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole

1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole (PubChem CID 157459189) has the molecular formula C118H74N10O2 and a molecular weight of 1663.96 g/mol. Its IUPAC name is 1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 157459189
• Molecular Formula: C118H74N10O2
• Molecular Weight: 1663.96 g/mol
• Exact Mass: 1662.60
• IUPAC Name: 1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3cnc(-c4cccc5oc6ccc7c8ccccc8n(-c8ccccc8)c7c6c45)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cccc(-c3cnc(-c4cccc5c4oc4c5ccc5c4c4ccccc4n5-c4ccccc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1
• InChI: InChI=1S/C62H39N5O.C56H35N5O/c1-6-19-40(20-7-1)44-35-45(41-21-8-2-9-22-41)37-46(36-44)47-38-52(62-65-60(42-23-10-3-11-24-42)64-61(66-62)43-25-12-4-13-26-43)58(63-39-47)51-30-18-32-54-56(51)57-55(68-54)34-33-50-49-29-16-17-31-53(49)67(59(50)57)48-27-14-5-15-28-48;1-5-17-36(18-6-1)39-23-15-24-40(33-39)41-34-47(56-59-54(37-19-7-2-8-20-37)58-55(60-56)38-21-9-3-10-22-38)51(57-35-41)46-29-16-28-43-44-31-32-49-50(53(44)62-52(43)46)45-27-13-14-30-48(45)61(49)42-25-11-4-12-26-42/h1-39H;1-35H
• InChIKey: BTSLSBBJVXKGPK-UHFFFAOYSA-N
• XLogP: 30.20
• TPSA: 139.26 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1663.96
LogP ≤ 5	30.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole (CID 157459189) is 1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3cnc(-c4cccc5oc6ccc7c8ccccc8n(-c8ccccc8)c7c6c45)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cccc(-c3cnc(-c4cccc5c4oc4c5ccc5c4c4ccccc4n5-c4ccccc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.

What is the InChIKey of 1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?

The InChIKey is BTSLSBBJVXKGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N5O.C56H35N5O/c1-6-19-40(20-7-1)44-35-45(41-21-8-2-9-22-41)37-46(36-44)47-38-52(62-65-60(42-23-10-3-11-24-42)64-61(66-62)43-25-12-4-13-26-43)58(63-39-47)51-30-18-32-54-56(51)57-55(68-54)34-33-50-49-29-16-17-31-53(49)67(59(50)57)48-27-14-5-15-28-48;1-5-17-36(18-6-1)39-23-15-24-40(33-39)41-34-47(56-59-54(37-19-7-2-8-20-37)58-55(60-56)38-21-9-3-10-22-38)51(57-35-41)46-29-16-28-43-44-31-32-49-50(53(44)62-52(43)46)45-27-13-14-30-48(45)61(49)42-25-11-4-12-26-42/h1-39H;1-35H.

What are the key properties of 1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?

1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1663.96 g/mol, XLogP of 30.20, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 157459189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).