12-[3-(4-naphthalen-1-ylphenyl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-(3-pyridin-2-ylnaphthalen-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane]

C161H120N6 — CID 165071507

About 12-[3-(4-naphthalen-1-ylphenyl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-(3-pyridin-2-ylnaphthalen-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane]

12-[3-(4-naphthalen-1-ylphenyl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-(3-pyridin-2-ylnaphthalen-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane] (PubChem CID 165071507) has the molecular formula C161H120N6 and a molecular weight of 2138.77 g/mol. Its IUPAC name is 12-[3-(4-naphthalen-1-ylphenyl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-(3-pyridin-2-ylnaphthalen-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane].

Molecular Properties

• Compound Name: 12-[3-(4-naphthalen-1-ylphenyl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-(3-pyridin-2-ylnaphthalen-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane]
• PubChem CID: 165071507
• Molecular Formula: C161H120N6
• Molecular Weight: 2138.77 g/mol
• Exact Mass: 2136.96
• IUPAC Name: 12-[3-(4-naphthalen-1-ylphenyl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-(3-pyridin-2-ylnaphthalen-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane]
• SMILES: c1cc(-c2ccc(-c3cccc4ccccc34)cc2)cc(-n2c3cc4c(cc3c3ccc5ccccc5c32)C2(c3ccccc3-4)C3CC4CC(C3)CC2C4)c1.c1ccc(-c2cc3ccccc3cc2-n2c3cc4c(cc3c3ccc5ccccc5c32)C2(c3ccccc3-4)C3CC4CC(C3)CC2C4)nc1.c1ccc2c(c1)-c1cc3c(cc1C21C2CC4CC(C2)CC1C4)c1ccc2ccccc2c1n3-c1ccc(-c2nc(-c3cc4ccccc4c4ccccc34)c3ccccc3n2)cc1
• InChI: InChI=1S/C60H43N3.C54H41N.C47H36N2/c1-4-14-44-37(11-1)23-26-48-51-33-54-50(47-17-7-9-19-53(47)60(54)40-28-35-27-36(30-40)31-41(60)29-35)34-56(51)63(58(44)48)42-24-21-38(22-25-42)59-61-55-20-10-8-18-49(55)57(62-59)52-32-39-12-2-3-13-43(39)45-15-5-6-16-46(45)52;1-3-14-43-36(9-1)11-8-17-44(43)38-21-19-35(20-22-38)39-12-7-13-42(30-39)55-52-32-48-46-16-5-6-18-50(46)54(40-26-33-25-34(28-40)29-41(54)27-33)51(48)31-49(52)47-24-23-37-10-2-4-15-45(37)53(47)55;1-2-11-32-25-44(40(24-31(32)10-1)43-15-7-8-18-48-43)49-45-27-38-36-13-5-6-14-41(36)47(33-20-28-19-29(22-33)23-34(47)21-28)42(38)26-39(45)37-17-16-30-9-3-4-12-35(30)46(37)49/h1-26,32-36,40-41H,27-31H2;1-24,30-34,40-41H,25-29H2;1-18,24-29,33-34H,19-23H2
• InChIKey: SVQBHWYOOYGQJF-UHFFFAOYSA-N
• XLogP: 41.26
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2138.77
LogP ≤ 5	41.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-1-ylphenyl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-(3-pyridin-2-ylnaphthalen-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane]?

The IUPAC name of 12-[3-(4-naphthalen-1-ylphenyl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-(3-pyridin-2-ylnaphthalen-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane] (CID 165071507) is 12-[3-(4-naphthalen-1-ylphenyl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-(3-pyridin-2-ylnaphthalen-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane].

What is the SMILES notation for 12-[3-(4-naphthalen-1-ylphenyl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-(3-pyridin-2-ylnaphthalen-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane]?

The canonical SMILES for 12-[3-(4-naphthalen-1-ylphenyl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-(3-pyridin-2-ylnaphthalen-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane] is c1cc(-c2ccc(-c3cccc4ccccc34)cc2)cc(-n2c3cc4c(cc3c3ccc5ccccc5c32)C2(c3ccccc3-4)C3CC4CC(C3)CC2C4)c1.c1ccc(-c2cc3ccccc3cc2-n2c3cc4c(cc3c3ccc5ccccc5c32)C2(c3ccccc3-4)C3CC4CC(C3)CC2C4)nc1.c1ccc2c(c1)-c1cc3c(cc1C21C2CC4CC(C2)CC1C4)c1ccc2ccccc2c1n3-c1ccc(-c2nc(-c3cc4ccccc4c4ccccc34)c3ccccc3n2)cc1.

What is the InChIKey of 12-[3-(4-naphthalen-1-ylphenyl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-(3-pyridin-2-ylnaphthalen-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane]?

The InChIKey is SVQBHWYOOYGQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N3.C54H41N.C47H36N2/c1-4-14-44-37(11-1)23-26-48-51-33-54-50(47-17-7-9-19-53(47)60(54)40-28-35-27-36(30-40)31-41(60)29-35)34-56(51)63(58(44)48)42-24-21-38(22-25-42)59-61-55-20-10-8-18-49(55)57(62-59)52-32-39-12-2-3-13-43(39)45-15-5-6-16-46(45)52;1-3-14-43-36(9-1)11-8-17-44(43)38-21-19-35(20-22-38)39-12-7-13-42(30-39)55-52-32-48-46-16-5-6-18-50(46)54(40-26-33-25-34(28-40)29-41(54)27-33)51(48)31-49(52)47-24-23-37-10-2-4-15-45(37)53(47)55;1-2-11-32-25-44(40(24-31(32)10-1)43-15-7-8-18-48-43)49-45-27-38-36-13-5-6-14-41(36)47(33-20-28-19-29(22-33)23-34(47)21-28)42(38)26-39(45)37-17-16-30-9-3-4-12-35(30)46(37)49/h1-26,32-36,40-41H,27-31H2;1-24,30-34,40-41H,25-29H2;1-18,24-29,33-34H,19-23H2.

What are the key properties of 12-[3-(4-naphthalen-1-ylphenyl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-(3-pyridin-2-ylnaphthalen-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane]?

12-[3-(4-naphthalen-1-ylphenyl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-(3-pyridin-2-ylnaphthalen-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane] has a molecular weight of 2138.77 g/mol, XLogP of 41.26, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[3-(4-naphthalen-1-ylphenyl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-(3-pyridin-2-ylnaphthalen-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane] is sourced from PubChem (CID 165071507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).