12-[5-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-2-yl]-9-naphthalen-2-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C72H45N3 — CID 118895735

About 12-[5-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-2-yl]-9-naphthalen-2-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

12-[5-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-2-yl]-9-naphthalen-2-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 118895735) has the molecular formula C72H45N3 and a molecular weight of 952.17 g/mol. Its IUPAC name is 12-[5-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-2-yl]-9-naphthalen-2-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 12-[5-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-2-yl]-9-naphthalen-2-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• PubChem CID: 118895735
• Molecular Formula: C72H45N3
• Molecular Weight: 952.17 g/mol
• Exact Mass: 951.36
• IUPAC Name: 12-[5-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-2-yl]-9-naphthalen-2-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4nc5ccccc5nc4-c4cccc5cc(-n6c7ccc8ccccc8c7c7c8ccccc8c(-c8ccc9ccccc9c8)cc76)ccc45)cc3)c2)cc1
• InChI: InChI=1S/C72H45N3/c1-3-16-46(17-4-1)55-41-56(47-18-5-2-6-19-47)43-57(42-55)49-30-33-51(34-31-49)71-72(74-66-29-14-13-28-65(66)73-71)63-27-15-23-53-44-58(37-38-59(53)63)75-67-39-36-50-21-9-10-24-60(50)69(67)70-62-26-12-11-25-61(62)64(45-68(70)75)54-35-32-48-20-7-8-22-52(48)40-54/h1-45H
• InChIKey: WHHYCPOFUPCYJU-UHFFFAOYSA-N
• XLogP: 19.34
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	952.17
LogP ≤ 5	19.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 12-[5-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-2-yl]-9-naphthalen-2-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The IUPAC name of 12-[5-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-2-yl]-9-naphthalen-2-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 118895735) is 12-[5-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-2-yl]-9-naphthalen-2-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

What is the SMILES notation for 12-[5-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-2-yl]-9-naphthalen-2-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The canonical SMILES for 12-[5-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-2-yl]-9-naphthalen-2-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4nc5ccccc5nc4-c4cccc5cc(-n6c7ccc8ccccc8c7c7c8ccccc8c(-c8ccc9ccccc9c8)cc76)ccc45)cc3)c2)cc1.

What is the InChIKey of 12-[5-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-2-yl]-9-naphthalen-2-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The InChIKey is WHHYCPOFUPCYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H45N3/c1-3-16-46(17-4-1)55-41-56(47-18-5-2-6-19-47)43-57(42-55)49-30-33-51(34-31-49)71-72(74-66-29-14-13-28-65(66)73-71)63-27-15-23-53-44-58(37-38-59(53)63)75-67-39-36-50-21-9-10-24-60(50)69(67)70-62-26-12-11-25-61(62)64(45-68(70)75)54-35-32-48-20-7-8-22-52(48)40-54/h1-45H.

What are the key properties of 12-[5-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-2-yl]-9-naphthalen-2-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

12-[5-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-2-yl]-9-naphthalen-2-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 952.17 g/mol, XLogP of 19.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[5-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-2-yl]-9-naphthalen-2-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 118895735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).