22-naphthalen-2-yl-8-phenanthridin-6-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-naphthalen-1-ylphenyl)-8-[4-(9-phenylphenanthridin-6-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3-phenanthridin-6-ylphenyl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(3-phenanthridin-6-ylphenyl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene

C200H128N12 — CID 158556425

About 22-naphthalen-2-yl-8-phenanthridin-6-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-naphthalen-1-ylphenyl)-8-[4-(9-phenylphenanthridin-6-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3-phenanthridin-6-ylphenyl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(3-phenanthridin-6-ylphenyl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene

22-naphthalen-2-yl-8-phenanthridin-6-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-naphthalen-1-ylphenyl)-8-[4-(9-phenylphenanthridin-6-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3-phenanthridin-6-ylphenyl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(3-phenanthridin-6-ylphenyl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (PubChem CID 158556425) has the molecular formula C200H128N12 and a molecular weight of 2699.31 g/mol. Its IUPAC name is 22-naphthalen-2-yl-8-phenanthridin-6-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-naphthalen-1-ylphenyl)-8-[4-(9-phenylphenanthridin-6-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3-phenanthridin-6-ylphenyl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(3-phenanthridin-6-ylphenyl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene.

Molecular Properties

• Compound Name: 22-naphthalen-2-yl-8-phenanthridin-6-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-naphthalen-1-ylphenyl)-8-[4-(9-phenylphenanthridin-6-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3-phenanthridin-6-ylphenyl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(3-phenanthridin-6-ylphenyl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
• PubChem CID: 158556425
• Molecular Formula: C200H128N12
• Molecular Weight: 2699.31 g/mol
• Exact Mass: 2697.04
• IUPAC Name: 22-naphthalen-2-yl-8-phenanthridin-6-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-naphthalen-1-ylphenyl)-8-[4-(9-phenylphenanthridin-6-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3-phenanthridin-6-ylphenyl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(3-phenanthridin-6-ylphenyl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
• SMILES: c1ccc(-c2ccc3c(-c4ccc(N5c6ccccc6-c6c(n(-c7cccc(-c8cccc9ccccc89)c7)c7ccccc67)-c6ccccc65)cc4)nc4ccccc4c3c2)cc1.c1ccc(-n2c3c(c4ccccc42)-c2ccccc2N(c2cccc(-c4cccc(-c5nc6ccccc6c6ccccc56)c4)c2)c2ccccc2-3)cc1.c1ccc(-n2c3c(c4ccccc42)-c2ccccc2N(c2cccc(-c4nc5ccccc5c5ccccc45)c2)c2ccccc2-3)cc1.c1ccc2c(c1)-c1c(n(-c3ccc4ccccc4c3)c3ccccc13)-c1ccccc1N2c1nc2ccccc2c2ccccc12
• InChI: InChI=1S/C61H39N3.C51H33N3.C45H29N3.C43H27N3/c1-2-16-40(17-3-1)43-34-37-50-54(39-43)49-23-6-10-28-55(49)62-60(50)42-32-35-45(36-33-42)63-56-29-11-7-24-51(56)59-52-25-8-12-30-57(52)64(61(59)53-26-9-13-31-58(53)63)46-21-14-20-44(38-46)48-27-15-19-41-18-4-5-22-47(41)48;1-2-19-37(20-3-1)54-47-30-12-8-26-43(47)49-42-25-7-11-29-46(42)53(48-31-13-9-27-44(48)51(49)54)38-21-15-17-35(33-38)34-16-14-18-36(32-34)50-41-24-5-4-22-39(41)40-23-6-10-28-45(40)52-50;1-2-16-31(17-3-1)48-41-27-12-8-23-37(41)43-36-22-7-11-26-40(36)47(42-28-13-9-24-38(42)45(43)48)32-18-14-15-30(29-32)44-35-21-5-4-19-33(35)34-20-6-10-25-39(34)46-44;1-2-14-29-27-30(26-25-28(29)13-1)45-38-22-10-6-18-34(38)41-35-19-7-11-23-39(35)46(40-24-12-8-20-36(40)42(41)45)43-33-17-4-3-15-31(33)32-16-5-9-21-37(32)44-43/h1-39H;1-33H;1-29H;1-27H
• InChIKey: HQIVYNZABXTVMZ-UHFFFAOYSA-N
• XLogP: 54.10
• TPSA: 84.24 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2699.31
LogP ≤ 5	54.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 22-naphthalen-2-yl-8-phenanthridin-6-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-naphthalen-1-ylphenyl)-8-[4-(9-phenylphenanthridin-6-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3-phenanthridin-6-ylphenyl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(3-phenanthridin-6-ylphenyl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The IUPAC name of 22-naphthalen-2-yl-8-phenanthridin-6-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-naphthalen-1-ylphenyl)-8-[4-(9-phenylphenanthridin-6-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3-phenanthridin-6-ylphenyl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(3-phenanthridin-6-ylphenyl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (CID 158556425) is 22-naphthalen-2-yl-8-phenanthridin-6-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-naphthalen-1-ylphenyl)-8-[4-(9-phenylphenanthridin-6-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3-phenanthridin-6-ylphenyl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(3-phenanthridin-6-ylphenyl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene.

What is the SMILES notation for 22-naphthalen-2-yl-8-phenanthridin-6-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-naphthalen-1-ylphenyl)-8-[4-(9-phenylphenanthridin-6-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3-phenanthridin-6-ylphenyl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(3-phenanthridin-6-ylphenyl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The canonical SMILES for 22-naphthalen-2-yl-8-phenanthridin-6-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-naphthalen-1-ylphenyl)-8-[4-(9-phenylphenanthridin-6-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3-phenanthridin-6-ylphenyl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(3-phenanthridin-6-ylphenyl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is c1ccc(-c2ccc3c(-c4ccc(N5c6ccccc6-c6c(n(-c7cccc(-c8cccc9ccccc89)c7)c7ccccc67)-c6ccccc65)cc4)nc4ccccc4c3c2)cc1.c1ccc(-n2c3c(c4ccccc42)-c2ccccc2N(c2cccc(-c4cccc(-c5nc6ccccc6c6ccccc56)c4)c2)c2ccccc2-3)cc1.c1ccc(-n2c3c(c4ccccc42)-c2ccccc2N(c2cccc(-c4nc5ccccc5c5ccccc45)c2)c2ccccc2-3)cc1.c1ccc2c(c1)-c1c(n(-c3ccc4ccccc4c3)c3ccccc13)-c1ccccc1N2c1nc2ccccc2c2ccccc12.

What is the InChIKey of 22-naphthalen-2-yl-8-phenanthridin-6-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-naphthalen-1-ylphenyl)-8-[4-(9-phenylphenanthridin-6-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3-phenanthridin-6-ylphenyl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(3-phenanthridin-6-ylphenyl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The InChIKey is HQIVYNZABXTVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N3.C51H33N3.C45H29N3.C43H27N3/c1-2-16-40(17-3-1)43-34-37-50-54(39-43)49-23-6-10-28-55(49)62-60(50)42-32-35-45(36-33-42)63-56-29-11-7-24-51(56)59-52-25-8-12-30-57(52)64(61(59)53-26-9-13-31-58(53)63)46-21-14-20-44(38-46)48-27-15-19-41-18-4-5-22-47(41)48;1-2-19-37(20-3-1)54-47-30-12-8-26-43(47)49-42-25-7-11-29-46(42)53(48-31-13-9-27-44(48)51(49)54)38-21-15-17-35(33-38)34-16-14-18-36(32-34)50-41-24-5-4-22-39(41)40-23-6-10-28-45(40)52-50;1-2-16-31(17-3-1)48-41-27-12-8-23-37(41)43-36-22-7-11-26-40(36)47(42-28-13-9-24-38(42)45(43)48)32-18-14-15-30(29-32)44-35-21-5-4-19-33(35)34-20-6-10-25-39(34)46-44;1-2-14-29-27-30(26-25-28(29)13-1)45-38-22-10-6-18-34(38)41-35-19-7-11-23-39(35)46(40-24-12-8-20-36(40)42(41)45)43-33-17-4-3-15-31(33)32-16-5-9-21-37(32)44-43/h1-39H;1-33H;1-29H;1-27H.

What are the key properties of 22-naphthalen-2-yl-8-phenanthridin-6-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-naphthalen-1-ylphenyl)-8-[4-(9-phenylphenanthridin-6-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3-phenanthridin-6-ylphenyl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(3-phenanthridin-6-ylphenyl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

22-naphthalen-2-yl-8-phenanthridin-6-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-naphthalen-1-ylphenyl)-8-[4-(9-phenylphenanthridin-6-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3-phenanthridin-6-ylphenyl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(3-phenanthridin-6-ylphenyl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene has a molecular weight of 2699.31 g/mol, XLogP of 54.10, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 22-naphthalen-2-yl-8-phenanthridin-6-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-naphthalen-1-ylphenyl)-8-[4-(9-phenylphenanthridin-6-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3-phenanthridin-6-ylphenyl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(3-phenanthridin-6-ylphenyl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is sourced from PubChem (CID 158556425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).