12-[1-[4-dibenzofuran-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

C65H37N5O2 — CID 164714646

About 12-[1-[4-dibenzofuran-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

12-[1-[4-dibenzofuran-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (PubChem CID 164714646) has the molecular formula C65H37N5O2 and a molecular weight of 920.04 g/mol. Its IUPAC name is 12-[1-[4-dibenzofuran-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.

Molecular Properties

• Compound Name: 12-[1-[4-dibenzofuran-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
• PubChem CID: 164714646
• Molecular Formula: C65H37N5O2
• Molecular Weight: 920.04 g/mol
• Exact Mass: 919.29
• IUPAC Name: 12-[1-[4-dibenzofuran-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
• SMILES: c1ccc(-n2c3ccccc3c3c(-c4nc(-c5cccc6oc7ccccc7c56)nc(-c5cc(-n6c7cc8ccccc8cc7c7c8ccccc8ccc76)cc6oc7ccccc7c56)n4)cccc32)cc1
• InChI: InChI=1S/C65H37N5O2/c1-2-19-41(20-3-1)69-51-27-11-8-22-44(51)60-47(25-14-28-52(60)69)63-66-64(48-26-15-31-57-61(48)45-23-9-12-29-55(45)71-57)68-65(67-63)50-36-42(37-58-62(50)46-24-10-13-30-56(46)72-58)70-53-33-32-38-16-6-7-21-43(38)59(53)49-34-39-17-4-5-18-40(39)35-54(49)70/h1-37H
• InChIKey: IBRKPSIXAKMTTJ-UHFFFAOYSA-N
• XLogP: 17.17
• TPSA: 74.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	920.04
LogP ≤ 5	17.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 12-[1-[4-dibenzofuran-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The IUPAC name of 12-[1-[4-dibenzofuran-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (CID 164714646) is 12-[1-[4-dibenzofuran-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.

What is the SMILES notation for 12-[1-[4-dibenzofuran-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The canonical SMILES for 12-[1-[4-dibenzofuran-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is c1ccc(-n2c3ccccc3c3c(-c4nc(-c5cccc6oc7ccccc7c56)nc(-c5cc(-n6c7cc8ccccc8cc7c7c8ccccc8ccc76)cc6oc7ccccc7c56)n4)cccc32)cc1.

What is the InChIKey of 12-[1-[4-dibenzofuran-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The InChIKey is IBRKPSIXAKMTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H37N5O2/c1-2-19-41(20-3-1)69-51-27-11-8-22-44(51)60-47(25-14-28-52(60)69)63-66-64(48-26-15-31-57-61(48)45-23-9-12-29-55(45)71-57)68-65(67-63)50-36-42(37-58-62(50)46-24-10-13-30-56(46)72-58)70-53-33-32-38-16-6-7-21-43(38)59(53)49-34-39-17-4-5-18-40(39)35-54(49)70/h1-37H.

What are the key properties of 12-[1-[4-dibenzofuran-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

12-[1-[4-dibenzofuran-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene has a molecular weight of 920.04 g/mol, XLogP of 17.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[1-[4-dibenzofuran-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is sourced from PubChem (CID 164714646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).