10,20-diphenyl-7-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene

C167H104N12 — CID 160543622

About 10,20-diphenyl-7-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene

10,20-diphenyl-7-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene (PubChem CID 160543622) has the molecular formula C167H104N12 and a molecular weight of 2278.75 g/mol. Its IUPAC name is 10,20-diphenyl-7-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 10,20-diphenyl-7-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene
• PubChem CID: 160543622
• Molecular Formula: C167H104N12
• Molecular Weight: 2278.75 g/mol
• Exact Mass: 2276.85
• IUPAC Name: 10,20-diphenyl-7-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene
• SMILES: c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccc6c7cc8nc(-c9ccccc9)c9ccccc9c8cc7n(-c7ccccc7)c6c5)c4)nc4ccccc34)cc2)cc1.c1ccc(-c2nc3cc4c5ccc(-c6cccc(-c7nc(-c8ccc9ccccc9c8)c8ccccc8n7)c6)cc5n(-c5ccccc5)c4cc3c3ccccc23)cc1.c1ccc(-c2nc3cc4c5ccc(-c6cccc(-c7nc(-c8cccc9ccccc89)c8ccccc8n7)c6)cc5n(-c5ccccc5)c4cc3c3ccccc23)cc1
• InChI: InChI=1S/C57H36N4.2C55H34N4/c1-4-15-37(16-5-1)38-27-29-40(30-28-38)56-48-25-12-13-26-51(48)59-57(60-56)43-20-14-19-41(33-43)42-31-32-46-50-35-52-49(36-54(50)61(53(46)34-42)44-21-8-3-9-22-44)45-23-10-11-24-47(45)55(58-52)39-17-6-2-7-18-39;1-3-16-36(17-4-1)53-45-25-10-9-24-42(45)47-34-52-48(33-50(47)56-53)43-30-29-38(32-51(43)59(52)40-21-5-2-6-22-40)37-19-13-20-39(31-37)55-57-49-28-12-11-26-46(49)54(58-55)44-27-14-18-35-15-7-8-23-41(35)44;1-3-15-36(16-4-1)53-45-23-10-9-22-43(45)47-34-52-48(33-50(47)56-53)44-29-28-39(32-51(44)59(52)42-20-5-2-6-21-42)38-18-13-19-41(31-38)55-57-49-25-12-11-24-46(49)54(58-55)40-27-26-35-14-7-8-17-37(35)30-40/h1-36H;2*1-34H
• InChIKey: QXCWWLMPBNEUTG-UHFFFAOYSA-N
• XLogP: 43.26
• TPSA: 130.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2278.75
LogP ≤ 5	43.26
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 10,20-diphenyl-7-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene?

The IUPAC name of 10,20-diphenyl-7-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene (CID 160543622) is 10,20-diphenyl-7-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene.

What is the SMILES notation for 10,20-diphenyl-7-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene?

The canonical SMILES for 10,20-diphenyl-7-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccc6c7cc8nc(-c9ccccc9)c9ccccc9c8cc7n(-c7ccccc7)c6c5)c4)nc4ccccc34)cc2)cc1.c1ccc(-c2nc3cc4c5ccc(-c6cccc(-c7nc(-c8ccc9ccccc9c8)c8ccccc8n7)c6)cc5n(-c5ccccc5)c4cc3c3ccccc23)cc1.c1ccc(-c2nc3cc4c5ccc(-c6cccc(-c7nc(-c8cccc9ccccc89)c8ccccc8n7)c6)cc5n(-c5ccccc5)c4cc3c3ccccc23)cc1.

What is the InChIKey of 10,20-diphenyl-7-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene?

The InChIKey is QXCWWLMPBNEUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4.2C55H34N4/c1-4-15-37(16-5-1)38-27-29-40(30-28-38)56-48-25-12-13-26-51(48)59-57(60-56)43-20-14-19-41(33-43)42-31-32-46-50-35-52-49(36-54(50)61(53(46)34-42)44-21-8-3-9-22-44)45-23-10-11-24-47(45)55(58-52)39-17-6-2-7-18-39;1-3-16-36(17-4-1)53-45-25-10-9-24-42(45)47-34-52-48(33-50(47)56-53)43-30-29-38(32-51(43)59(52)40-21-5-2-6-22-40)37-19-13-20-39(31-37)55-57-49-28-12-11-26-46(49)54(58-55)44-27-14-18-35-15-7-8-23-41(35)44;1-3-15-36(16-4-1)53-45-23-10-9-22-43(45)47-34-52-48(33-50(47)56-53)44-29-28-39(32-51(44)59(52)42-20-5-2-6-21-42)38-18-13-19-41(31-38)55-57-49-25-12-11-24-46(49)54(58-55)40-27-26-35-14-7-8-17-37(35)30-40/h1-36H;2*1-34H.

What are the key properties of 10,20-diphenyl-7-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene?

10,20-diphenyl-7-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene has a molecular weight of 2278.75 g/mol, XLogP of 43.26, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 10,20-diphenyl-7-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene is sourced from PubChem (CID 160543622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).