12-[4-[4,6-bis(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene

C65H42N4O — CID 155475049

About 12-[4-[4,6-bis(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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-[4-[4,6-bis(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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 155475049) has the molecular formula C65H42N4O and a molecular weight of 895.08 g/mol. Its IUPAC name is 12-[4-[4,6-bis(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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: 12-[4-[4,6-bis(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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: 155475049
• Molecular Formula: C65H42N4O
• Molecular Weight: 895.08 g/mol
• Exact Mass: 894.34
• IUPAC Name: 12-[4-[4,6-bis(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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(-c2ccccc2C2=NC(c3ccc(-n4c5cc6ccccc6cc5c5ccc6ccccc6c54)c(-c4ccc5oc6ccccc6c5c4)c3)NC(c3ccccc3-c3ccccc3)=N2)cc1
• InChI: InChI=1S/C65H42N4O/c1-3-17-41(18-4-1)48-24-11-13-28-53(48)64-66-63(67-65(68-64)54-29-14-12-25-49(54)42-19-5-2-6-20-42)47-32-35-58(55(39-47)46-33-36-61-57(38-46)51-27-15-16-30-60(51)70-61)69-59-40-45-23-8-7-22-44(45)37-56(59)52-34-31-43-21-9-10-26-50(43)62(52)69/h1-40,63H,(H,66,67,68)
• InChIKey: NYODLSRHHWDPNU-UHFFFAOYSA-N
• XLogP: 16.49
• TPSA: 54.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.08
LogP ≤ 5	16.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 12-[4-[4,6-bis(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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 12-[4-[4,6-bis(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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 155475049) is 12-[4-[4,6-bis(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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 12-[4-[4,6-bis(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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 12-[4-[4,6-bis(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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(-c2ccccc2C2=NC(c3ccc(-n4c5cc6ccccc6cc5c5ccc6ccccc6c54)c(-c4ccc5oc6ccccc6c5c4)c3)NC(c3ccccc3-c3ccccc3)=N2)cc1.

What is the InChIKey of 12-[4-[4,6-bis(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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 NYODLSRHHWDPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N4O/c1-3-17-41(18-4-1)48-24-11-13-28-53(48)64-66-63(67-65(68-64)54-29-14-12-25-49(54)42-19-5-2-6-20-42)47-32-35-58(55(39-47)46-33-36-61-57(38-46)51-27-15-16-30-60(51)70-61)69-59-40-45-23-8-7-22-44(45)37-56(59)52-34-31-43-21-9-10-26-50(43)62(52)69/h1-40,63H,(H,66,67,68).

What are the key properties of 12-[4-[4,6-bis(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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-[4-[4,6-bis(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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 895.08 g/mol, XLogP of 16.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-[4,6-bis(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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 155475049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).