12-[3-(4-naphthalen-2-ylphenyl)quinoxalin-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-(4-phenanthren-2-ylquinazolin-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-phenanthro[9,10-b]pyrazin-3-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-[9-[3-(4-phenylphenyl)quinoxalin-2-yl]carbazol-3-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

C174H105N13 — CID 159048905

About 12-[3-(4-naphthalen-2-ylphenyl)quinoxalin-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-(4-phenanthren-2-ylquinazolin-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-phenanthro[9,10-b]pyrazin-3-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-[9-[3-(4-phenylphenyl)quinoxalin-2-yl]carbazol-3-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-[3-(4-naphthalen-2-ylphenyl)quinoxalin-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-(4-phenanthren-2-ylquinazolin-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-phenanthro[9,10-b]pyrazin-3-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-[9-[3-(4-phenylphenyl)quinoxalin-2-yl]carbazol-3-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 159048905) has the molecular formula C174H105N13 and a molecular weight of 2377.84 g/mol. Its IUPAC name is 12-[3-(4-naphthalen-2-ylphenyl)quinoxalin-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-(4-phenanthren-2-ylquinazolin-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-phenanthro[9,10-b]pyrazin-3-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-[9-[3-(4-phenylphenyl)quinoxalin-2-yl]carbazol-3-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-[3-(4-naphthalen-2-ylphenyl)quinoxalin-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-(4-phenanthren-2-ylquinazolin-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-phenanthro[9,10-b]pyrazin-3-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-[9-[3-(4-phenylphenyl)quinoxalin-2-yl]carbazol-3-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: 159048905
• Molecular Formula: C174H105N13
• Molecular Weight: 2377.84 g/mol
• Exact Mass: 2375.86
• IUPAC Name: 12-[3-(4-naphthalen-2-ylphenyl)quinoxalin-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-(4-phenanthren-2-ylquinazolin-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-phenanthro[9,10-b]pyrazin-3-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-[9-[3-(4-phenylphenyl)quinoxalin-2-yl]carbazol-3-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(-c2ccc(-c3nc4ccccc4nc3-n3c4ccccc4c4cc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)ccc43)cc2)cc1.c1ccc2c(c1)ccc1c2c2c3ccccc3ccc2n1-c1cnc2c3ccccc3c3ccccc3c2n1.c1ccc2c(c1)ccc1cc(-c3nc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)nc4ccccc34)ccc12.c1ccc2cc(-c3ccc(-c4nc5ccccc5nc4-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)cc3)ccc2c1
• InChI: InChI=1S/C52H32N4.C44H27N3.C42H25N3.C36H21N3/c1-2-12-33(13-3-1)34-22-24-37(25-23-34)51-52(54-44-20-10-9-19-43(44)53-51)56-45-21-11-8-18-41(45)42-32-38(28-31-46(42)56)55-47-29-26-35-14-4-6-16-39(35)49(47)50-40-17-7-5-15-36(40)27-30-48(50)55;1-2-12-33-27-34(22-19-28(33)9-1)29-17-20-32(21-18-29)43-44(46-38-16-8-7-15-37(38)45-43)47-39-25-23-30-10-3-5-13-35(30)41(39)42-36-14-6-4-11-31(36)24-26-40(42)47;1-4-12-31-26(9-1)17-18-29-25-30(19-22-32(29)31)41-35-15-7-8-16-36(35)43-42(44-41)45-37-23-20-27-10-2-5-13-33(27)39(37)40-34-14-6-3-11-28(34)21-24-38(40)45;1-3-11-24-22(9-1)17-19-30-33(24)34-25-12-4-2-10-23(25)18-20-31(34)39(30)32-21-37-35-28-15-7-5-13-26(28)27-14-6-8-16-29(27)36(35)38-32/h1-32H;1-27H;1-25H;1-21H
• InChIKey: JWZYBWVFRGPOTL-UHFFFAOYSA-N
• XLogP: 45.33
• TPSA: 127.77 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2377.84
LogP ≤ 5	45.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 12-[3-(4-naphthalen-2-ylphenyl)quinoxalin-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-(4-phenanthren-2-ylquinazolin-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-phenanthro[9,10-b]pyrazin-3-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-[9-[3-(4-phenylphenyl)quinoxalin-2-yl]carbazol-3-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-[3-(4-naphthalen-2-ylphenyl)quinoxalin-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-(4-phenanthren-2-ylquinazolin-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-phenanthro[9,10-b]pyrazin-3-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-[9-[3-(4-phenylphenyl)quinoxalin-2-yl]carbazol-3-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 159048905) is 12-[3-(4-naphthalen-2-ylphenyl)quinoxalin-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-(4-phenanthren-2-ylquinazolin-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-phenanthro[9,10-b]pyrazin-3-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-[9-[3-(4-phenylphenyl)quinoxalin-2-yl]carbazol-3-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-[3-(4-naphthalen-2-ylphenyl)quinoxalin-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-(4-phenanthren-2-ylquinazolin-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-phenanthro[9,10-b]pyrazin-3-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-[9-[3-(4-phenylphenyl)quinoxalin-2-yl]carbazol-3-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-[3-(4-naphthalen-2-ylphenyl)quinoxalin-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-(4-phenanthren-2-ylquinazolin-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-phenanthro[9,10-b]pyrazin-3-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-[9-[3-(4-phenylphenyl)quinoxalin-2-yl]carbazol-3-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(-c2ccc(-c3nc4ccccc4nc3-n3c4ccccc4c4cc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)ccc43)cc2)cc1.c1ccc2c(c1)ccc1c2c2c3ccccc3ccc2n1-c1cnc2c3ccccc3c3ccccc3c2n1.c1ccc2c(c1)ccc1cc(-c3nc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)nc4ccccc34)ccc12.c1ccc2cc(-c3ccc(-c4nc5ccccc5nc4-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)cc3)ccc2c1.

What is the InChIKey of 12-[3-(4-naphthalen-2-ylphenyl)quinoxalin-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-(4-phenanthren-2-ylquinazolin-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-phenanthro[9,10-b]pyrazin-3-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-[9-[3-(4-phenylphenyl)quinoxalin-2-yl]carbazol-3-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 JWZYBWVFRGPOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4.C44H27N3.C42H25N3.C36H21N3/c1-2-12-33(13-3-1)34-22-24-37(25-23-34)51-52(54-44-20-10-9-19-43(44)53-51)56-45-21-11-8-18-41(45)42-32-38(28-31-46(42)56)55-47-29-26-35-14-4-6-16-39(35)49(47)50-40-17-7-5-15-36(40)27-30-48(50)55;1-2-12-33-27-34(22-19-28(33)9-1)29-17-20-32(21-18-29)43-44(46-38-16-8-7-15-37(38)45-43)47-39-25-23-30-10-3-5-13-35(30)41(39)42-36-14-6-4-11-31(36)24-26-40(42)47;1-4-12-31-26(9-1)17-18-29-25-30(19-22-32(29)31)41-35-15-7-8-16-36(35)43-42(44-41)45-37-23-20-27-10-2-5-13-33(27)39(37)40-34-14-6-3-11-28(34)21-24-38(40)45;1-3-11-24-22(9-1)17-19-30-33(24)34-25-12-4-2-10-23(25)18-20-31(34)39(30)32-21-37-35-28-15-7-5-13-26(28)27-14-6-8-16-29(27)36(35)38-32/h1-32H;1-27H;1-25H;1-21H.

What are the key properties of 12-[3-(4-naphthalen-2-ylphenyl)quinoxalin-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-(4-phenanthren-2-ylquinazolin-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-phenanthro[9,10-b]pyrazin-3-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-[9-[3-(4-phenylphenyl)quinoxalin-2-yl]carbazol-3-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-[3-(4-naphthalen-2-ylphenyl)quinoxalin-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-(4-phenanthren-2-ylquinazolin-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-phenanthro[9,10-b]pyrazin-3-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-[9-[3-(4-phenylphenyl)quinoxalin-2-yl]carbazol-3-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 2377.84 g/mol, XLogP of 45.33, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[3-(4-naphthalen-2-ylphenyl)quinoxalin-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-(4-phenanthren-2-ylquinazolin-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-phenanthro[9,10-b]pyrazin-3-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-[9-[3-(4-phenylphenyl)quinoxalin-2-yl]carbazol-3-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 159048905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).