12-[4-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-[3-(4-phenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-1-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

C168H105N9 — CID 158438400

About 12-[4-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-[3-(4-phenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-1-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-[4-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-[3-(4-phenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-1-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 158438400) has the molecular formula C168H105N9 and a molecular weight of 2249.75 g/mol. Its IUPAC name is 12-[4-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-[3-(4-phenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-1-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-[4-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-[3-(4-phenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-1-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: 158438400
• Molecular Formula: C168H105N9
• Molecular Weight: 2249.75 g/mol
• Exact Mass: 2247.85
• IUPAC Name: 12-[4-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-[3-(4-phenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-1-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-c4ccc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)c5ccccc45)cc3)c2)cc1.c1ccc(-c2ccc(-c3cccc(-c4nc5ccccc5nc4-c4cccc5c(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)cccc45)c3)cc2)cc1.c1ccc(-c2cccc(-c3nc4ccccc4nc3-c3cccc4c(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)cccc34)c2)cc1
• InChI: InChI=1S/C62H39N3.C56H35N3.C50H31N3/c1-3-15-40(16-4-1)46-37-47(41-17-5-2-6-18-41)39-48(38-46)42-27-29-45(30-28-42)61-62(64-55-26-14-13-25-54(55)63-61)53-33-36-56(52-24-12-11-23-51(52)53)65-57-34-31-43-19-7-9-21-49(43)59(57)60-50-22-10-8-20-44(50)32-35-58(60)65;1-2-13-36(14-3-1)37-27-29-38(30-28-37)41-17-10-18-42(35-41)55-56(58-49-25-9-8-24-48(49)57-55)47-23-11-22-46-45(47)21-12-26-50(46)59-51-33-31-39-15-4-6-19-43(39)53(51)54-44-20-7-5-16-40(44)32-34-52(54)59;1-2-13-32(14-3-1)35-17-10-18-36(31-35)49-50(52-43-25-9-8-24-42(43)51-49)41-23-11-22-40-39(41)21-12-26-44(40)53-45-29-27-33-15-4-6-19-37(33)47(45)48-38-20-7-5-16-34(38)28-30-46(48)53/h1-39H;1-35H;1-31H
• InChIKey: HCMYUKVEVAQFNG-UHFFFAOYSA-N
• XLogP: 44.56
• TPSA: 92.13 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2249.75
LogP ≤ 5	44.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 12-[4-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-[3-(4-phenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-1-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-[4-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-[3-(4-phenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-1-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 158438400) is 12-[4-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-[3-(4-phenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-1-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-[4-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-[3-(4-phenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-1-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-[4-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-[3-(4-phenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-1-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-c4ccc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)c5ccccc45)cc3)c2)cc1.c1ccc(-c2ccc(-c3cccc(-c4nc5ccccc5nc4-c4cccc5c(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)cccc45)c3)cc2)cc1.c1ccc(-c2cccc(-c3nc4ccccc4nc3-c3cccc4c(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)cccc34)c2)cc1.

What is the InChIKey of 12-[4-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-[3-(4-phenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-1-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 HCMYUKVEVAQFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N3.C56H35N3.C50H31N3/c1-3-15-40(16-4-1)46-37-47(41-17-5-2-6-18-41)39-48(38-46)42-27-29-45(30-28-42)61-62(64-55-26-14-13-25-54(55)63-61)53-33-36-56(52-24-12-11-23-51(52)53)65-57-34-31-43-19-7-9-21-49(43)59(57)60-50-22-10-8-20-44(50)32-35-58(60)65;1-2-13-36(14-3-1)37-27-29-38(30-28-37)41-17-10-18-42(35-41)55-56(58-49-25-9-8-24-48(49)57-55)47-23-11-22-46-45(47)21-12-26-50(46)59-51-33-31-39-15-4-6-19-43(39)53(51)54-44-20-7-5-16-40(44)32-34-52(54)59;1-2-13-32(14-3-1)35-17-10-18-36(31-35)49-50(52-43-25-9-8-24-42(43)51-49)41-23-11-22-40-39(41)21-12-26-44(40)53-45-29-27-33-15-4-6-19-37(33)47(45)48-38-20-7-5-16-34(38)28-30-46(48)53/h1-39H;1-35H;1-31H.

What are the key properties of 12-[4-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-[3-(4-phenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-1-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-[4-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-[3-(4-phenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-1-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 2249.75 g/mol, XLogP of 44.56, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-[3-(4-phenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-1-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 158438400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).