9-(3-phenylphenyl)-12-[4-[3-[4-(3-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;6-phenyl-12-[4-[3-[4-(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(8),4,6,9,14,16,18,20-decaene

C130H82N6 — CID 161423539

About 9-(3-phenylphenyl)-12-[4-[3-[4-(3-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;6-phenyl-12-[4-[3-[4-(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(8),4,6,9,14,16,18,20-decaene

9-(3-phenylphenyl)-12-[4-[3-[4-(3-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;6-phenyl-12-[4-[3-[4-(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(8),4,6,9,14,16,18,20-decaene (PubChem CID 161423539) has the molecular formula C130H82N6 and a molecular weight of 1728.13 g/mol. Its IUPAC name is 9-(3-phenylphenyl)-12-[4-[3-[4-(3-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;6-phenyl-12-[4-[3-[4-(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(8),4,6,9,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 9-(3-phenylphenyl)-12-[4-[3-[4-(3-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;6-phenyl-12-[4-[3-[4-(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(8),4,6,9,14,16,18,20-decaene
• PubChem CID: 161423539
• Molecular Formula: C130H82N6
• Molecular Weight: 1728.13 g/mol
• Exact Mass: 1726.66
• IUPAC Name: 9-(3-phenylphenyl)-12-[4-[3-[4-(3-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;6-phenyl-12-[4-[3-[4-(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(8),4,6,9,14,16,18,20-decaene
• SMILES: c1ccc(-c2ccc(-c3ccc(-c4nc5ccccc5nc4-c4ccc(-n5c6ccc7ccccc7c6c6c7ccc(-c8ccccc8)cc7ccc65)c5ccccc45)cc3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc5ccccc5nc4-c4ccc(-n5c6ccc7ccccc7c6c6c7ccccc7c(-c7cccc(-c8ccccc8)c7)cc65)c5ccccc45)cc3)c2)cc1
• InChI: InChI=1S/C68H43N3.C62H39N3/c1-3-17-44(18-4-1)49-22-15-23-50(41-49)46-33-35-48(36-34-46)67-68(70-61-32-14-13-31-60(61)69-67)58-38-40-62(56-29-11-9-27-54(56)58)71-63-39-37-47-21-7-8-26-53(47)65(63)66-57-30-12-10-28-55(57)59(43-64(66)71)52-25-16-24-51(42-52)45-19-5-2-6-20-45;1-3-13-40(14-4-1)42-23-25-43(26-24-42)44-27-29-46(30-28-44)61-62(64-55-22-12-11-21-54(55)63-61)53-35-38-56(52-20-10-9-19-51(52)53)65-57-36-32-45-17-7-8-18-49(45)59(57)60-50-34-31-47(41-15-5-2-6-16-41)39-48(50)33-37-58(60)65/h1-43H;1-39H
• InChIKey: VXAZKEICQVJRJF-UHFFFAOYSA-N
• XLogP: 34.71
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1728.13
LogP ≤ 5	34.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-(3-phenylphenyl)-12-[4-[3-[4-(3-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;6-phenyl-12-[4-[3-[4-(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(8),4,6,9,14,16,18,20-decaene?

The IUPAC name of 9-(3-phenylphenyl)-12-[4-[3-[4-(3-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;6-phenyl-12-[4-[3-[4-(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(8),4,6,9,14,16,18,20-decaene (CID 161423539) is 9-(3-phenylphenyl)-12-[4-[3-[4-(3-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;6-phenyl-12-[4-[3-[4-(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(8),4,6,9,14,16,18,20-decaene.

What is the SMILES notation for 9-(3-phenylphenyl)-12-[4-[3-[4-(3-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;6-phenyl-12-[4-[3-[4-(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(8),4,6,9,14,16,18,20-decaene?

The canonical SMILES for 9-(3-phenylphenyl)-12-[4-[3-[4-(3-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;6-phenyl-12-[4-[3-[4-(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(8),4,6,9,14,16,18,20-decaene is c1ccc(-c2ccc(-c3ccc(-c4nc5ccccc5nc4-c4ccc(-n5c6ccc7ccccc7c6c6c7ccc(-c8ccccc8)cc7ccc65)c5ccccc45)cc3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc5ccccc5nc4-c4ccc(-n5c6ccc7ccccc7c6c6c7ccccc7c(-c7cccc(-c8ccccc8)c7)cc65)c5ccccc45)cc3)c2)cc1.

What is the InChIKey of 9-(3-phenylphenyl)-12-[4-[3-[4-(3-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;6-phenyl-12-[4-[3-[4-(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(8),4,6,9,14,16,18,20-decaene?

The InChIKey is VXAZKEICQVJRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43N3.C62H39N3/c1-3-17-44(18-4-1)49-22-15-23-50(41-49)46-33-35-48(36-34-46)67-68(70-61-32-14-13-31-60(61)69-67)58-38-40-62(56-29-11-9-27-54(56)58)71-63-39-37-47-21-7-8-26-53(47)65(63)66-57-30-12-10-28-55(57)59(43-64(66)71)52-25-16-24-51(42-52)45-19-5-2-6-20-45;1-3-13-40(14-4-1)42-23-25-43(26-24-42)44-27-29-46(30-28-44)61-62(64-55-22-12-11-21-54(55)63-61)53-35-38-56(52-20-10-9-19-51(52)53)65-57-36-32-45-17-7-8-18-49(45)59(57)60-50-34-31-47(41-15-5-2-6-16-41)39-48(50)33-37-58(60)65/h1-43H;1-39H.

What are the key properties of 9-(3-phenylphenyl)-12-[4-[3-[4-(3-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;6-phenyl-12-[4-[3-[4-(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(8),4,6,9,14,16,18,20-decaene?

9-(3-phenylphenyl)-12-[4-[3-[4-(3-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;6-phenyl-12-[4-[3-[4-(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(8),4,6,9,14,16,18,20-decaene has a molecular weight of 1728.13 g/mol, XLogP of 34.71, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3-phenylphenyl)-12-[4-[3-[4-(3-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;6-phenyl-12-[4-[3-[4-(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(8),4,6,9,14,16,18,20-decaene is sourced from PubChem (CID 161423539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).