22-(3,5-diphenylphenyl)-8-(1,10-phenanthrolin-2-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;22-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-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

C155H99N11 — CID 161134496

About 22-(3,5-diphenylphenyl)-8-(1,10-phenanthrolin-2-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;22-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-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-(3,5-diphenylphenyl)-8-(1,10-phenanthrolin-2-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;22-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-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 (PubChem CID 161134496) has the molecular formula C155H99N11 and a molecular weight of 2115.57 g/mol. Its IUPAC name is 22-(3,5-diphenylphenyl)-8-(1,10-phenanthrolin-2-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;22-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-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.

Molecular Properties

• Compound Name: 22-(3,5-diphenylphenyl)-8-(1,10-phenanthrolin-2-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;22-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-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
• PubChem CID: 161134496
• Molecular Formula: C155H99N11
• Molecular Weight: 2115.57 g/mol
• Exact Mass: 2113.81
• IUPAC Name: 22-(3,5-diphenylphenyl)-8-(1,10-phenanthrolin-2-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;22-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-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
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-n3c4c(c5ccccc53)-c3ccccc3N(c3ccc5ccc6cccnc6c5n3)c3ccccc3-4)c2)cc1.c1ccc(-c2ccc3c(-c4ccc(N5c6ccccc6-c6c(n(-c7cccc(-c8cccc9ccccc89)c7)c7ccccc67)-c6ccccc65)cc4)nc4ccccc4c3c2)cc1.c1ccc(-c2ccc3ccc4ccc(N5c6ccccc6-c6c(n(-c7ccccc7)c7ccccc67)-c6ccccc65)nc4c3n2)cc1
• InChI: InChI=1S/C61H39N3.C50H32N4.C44H28N4/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;1-3-14-33(15-4-1)37-30-38(34-16-5-2-6-17-34)32-39(31-37)53-43-22-10-7-19-40(43)47-41-20-8-11-23-44(41)54(45-24-12-9-21-42(45)50(47)53)46-28-27-36-26-25-35-18-13-29-51-48(35)49(36)52-46;1-3-13-29(14-4-1)36-27-25-30-23-24-31-26-28-40(46-43(31)42(30)45-36)48-38-21-11-8-18-34(38)41-33-17-7-10-20-37(33)47(32-15-5-2-6-16-32)44(41)35-19-9-12-22-39(35)48/h1-39H;1-32H;1-28H
• InChIKey: UMPRJWPRBUJCGM-UHFFFAOYSA-N
• XLogP: 41.29
• TPSA: 88.96 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2115.57
LogP ≤ 5	41.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 22-(3,5-diphenylphenyl)-8-(1,10-phenanthrolin-2-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;22-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-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?

The IUPAC name of 22-(3,5-diphenylphenyl)-8-(1,10-phenanthrolin-2-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;22-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-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 (CID 161134496) is 22-(3,5-diphenylphenyl)-8-(1,10-phenanthrolin-2-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;22-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-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.

What is the SMILES notation for 22-(3,5-diphenylphenyl)-8-(1,10-phenanthrolin-2-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;22-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-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?

The canonical SMILES for 22-(3,5-diphenylphenyl)-8-(1,10-phenanthrolin-2-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;22-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-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 is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4c(c5ccccc53)-c3ccccc3N(c3ccc5ccc6cccnc6c5n3)c3ccccc3-4)c2)cc1.c1ccc(-c2ccc3c(-c4ccc(N5c6ccccc6-c6c(n(-c7cccc(-c8cccc9ccccc89)c7)c7ccccc67)-c6ccccc65)cc4)nc4ccccc4c3c2)cc1.c1ccc(-c2ccc3ccc4ccc(N5c6ccccc6-c6c(n(-c7ccccc7)c7ccccc67)-c6ccccc65)nc4c3n2)cc1.

What is the InChIKey of 22-(3,5-diphenylphenyl)-8-(1,10-phenanthrolin-2-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;22-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-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?

The InChIKey is UMPRJWPRBUJCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N3.C50H32N4.C44H28N4/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;1-3-14-33(15-4-1)37-30-38(34-16-5-2-6-17-34)32-39(31-37)53-43-22-10-7-19-40(43)47-41-20-8-11-23-44(41)54(45-24-12-9-21-42(45)50(47)53)46-28-27-36-26-25-35-18-13-29-51-48(35)49(36)52-46;1-3-13-29(14-4-1)36-27-25-30-23-24-31-26-28-40(46-43(31)42(30)45-36)48-38-21-11-8-18-34(38)41-33-17-7-10-20-37(33)47(32-15-5-2-6-16-32)44(41)35-19-9-12-22-39(35)48/h1-39H;1-32H;1-28H.

What are the key properties of 22-(3,5-diphenylphenyl)-8-(1,10-phenanthrolin-2-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;22-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-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-(3,5-diphenylphenyl)-8-(1,10-phenanthrolin-2-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;22-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-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 has a molecular weight of 2115.57 g/mol, XLogP of 41.29, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 22-(3,5-diphenylphenyl)-8-(1,10-phenanthrolin-2-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;22-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-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 is sourced from PubChem (CID 161134496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).