5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole;12-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12-[1-[4-phenanthren-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene

C179H106N12O3 — CID 164960041

About 5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole;12-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12-[1-[4-phenanthren-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene

5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole;12-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12-[1-[4-phenanthren-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene (PubChem CID 164960041) has the molecular formula C179H106N12O3 and a molecular weight of 2472.90 g/mol. Its IUPAC name is 5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole;12-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12-[1-[4-phenanthren-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole;12-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12-[1-[4-phenanthren-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
• PubChem CID: 164960041
• Molecular Formula: C179H106N12O3
• Molecular Weight: 2472.90 g/mol
• Exact Mass: 2470.85
• IUPAC Name: 5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole;12-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12-[1-[4-phenanthren-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5oc6cc7ccccc7cc6c45)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cc5ccccc5c5ccccc45)nc(-c4cc(-n5c6cc7ccccc7cc6c6ccc7ccccc7c65)cc5oc6ccccc6c45)n3)c2)cc1.c1ccc2cc(-c3nc(-c4cc5ccccc5c5ccccc45)nc(-c4cc(-n5c6cc7ccccc7cc6c6ccc7ccccc7c65)cc5oc6ccccc6c45)n3)ccc2c1
• InChI: InChI=1S/C61H36N4O.C59H34N4O.C59H36N4O/c1-2-15-37(16-3-1)39-21-14-22-43(31-39)59-62-60(52-33-42-20-7-8-23-45(42)47-25-10-11-26-48(47)52)64-61(63-59)53-35-44(36-56-57(53)50-27-12-13-28-55(50)66-56)65-54-34-41-19-5-4-18-40(41)32-51(54)49-30-29-38-17-6-9-24-46(38)58(49)65;1-2-15-37-29-41(26-25-35(37)13-1)57-60-58(50-31-40-18-6-7-19-43(40)45-21-9-10-22-46(45)50)62-59(61-57)51-33-42(34-54-55(51)48-23-11-12-24-53(48)64-54)63-52-32-39-17-4-3-16-38(39)30-49(52)47-28-27-36-14-5-8-20-44(36)56(47)63;1-3-13-37(14-4-1)39-23-27-41(28-24-39)57-60-58(42-29-25-40(26-30-42)38-15-5-2-6-16-38)62-59(61-57)51-35-47(36-55-56(51)50-32-44-18-8-10-20-46(44)34-54(50)64-55)63-52-22-12-11-21-48(52)49-31-43-17-7-9-19-45(43)33-53(49)63/h1-36H;1-34H;1-36H
• InChIKey: BSFOBJLXADTNOU-UHFFFAOYSA-N
• XLogP: 47.29
• TPSA: 170.22 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2472.90
LogP ≤ 5	47.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole;12-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12-[1-[4-phenanthren-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?

The IUPAC name of 5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole;12-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12-[1-[4-phenanthren-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene (CID 164960041) is 5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole;12-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12-[1-[4-phenanthren-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene.

What is the SMILES notation for 5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole;12-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12-[1-[4-phenanthren-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?

The canonical SMILES for 5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole;12-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12-[1-[4-phenanthren-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5oc6cc7ccccc7cc6c45)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cc5ccccc5c5ccccc45)nc(-c4cc(-n5c6cc7ccccc7cc6c6ccc7ccccc7c65)cc5oc6ccccc6c45)n3)c2)cc1.c1ccc2cc(-c3nc(-c4cc5ccccc5c5ccccc45)nc(-c4cc(-n5c6cc7ccccc7cc6c6ccc7ccccc7c65)cc5oc6ccccc6c45)n3)ccc2c1.

What is the InChIKey of 5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole;12-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12-[1-[4-phenanthren-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?

The InChIKey is BSFOBJLXADTNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H36N4O.C59H34N4O.C59H36N4O/c1-2-15-37(16-3-1)39-21-14-22-43(31-39)59-62-60(52-33-42-20-7-8-23-45(42)47-25-10-11-26-48(47)52)64-61(63-59)53-35-44(36-56-57(53)50-27-12-13-28-55(50)66-56)65-54-34-41-19-5-4-18-40(41)32-51(54)49-30-29-38-17-6-9-24-46(38)58(49)65;1-2-15-37-29-41(26-25-35(37)13-1)57-60-58(50-31-40-18-6-7-19-43(40)45-21-9-10-22-46(45)50)62-59(61-57)51-33-42(34-54-55(51)48-23-11-12-24-53(48)64-54)63-52-32-39-17-4-3-16-38(39)30-49(52)47-28-27-36-14-5-8-20-44(36)56(47)63;1-3-13-37(14-4-1)39-23-27-41(28-24-39)57-60-58(42-29-25-40(26-30-42)38-15-5-2-6-16-38)62-59(61-57)51-35-47(36-55-56(51)50-32-44-18-8-10-20-46(44)34-54(50)64-55)63-52-22-12-11-21-48(52)49-31-43-17-7-9-19-45(43)33-53(49)63/h1-36H;1-34H;1-36H.

What are the key properties of 5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole;12-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12-[1-[4-phenanthren-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?

5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole;12-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12-[1-[4-phenanthren-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene has a molecular weight of 2472.90 g/mol, XLogP of 47.29, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole;12-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12-[1-[4-phenanthren-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene is sourced from PubChem (CID 164960041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).