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-(5-phenylbenzo[h]quinazolin-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-(4-phenylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-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]

C207H155N9 — CID 165004174

About 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-(5-phenylbenzo[h]quinazolin-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-(4-phenylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-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-[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-(5-phenylbenzo[h]quinazolin-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-(4-phenylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-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 165004174) has the molecular formula C207H155N9 and a molecular weight of 2768.58 g/mol. Its IUPAC name is 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-(5-phenylbenzo[h]quinazolin-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-(4-phenylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-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-[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-(5-phenylbenzo[h]quinazolin-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-(4-phenylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-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: 165004174
• Molecular Formula: C207H155N9
• Molecular Weight: 2768.58 g/mol
• Exact Mass: 2766.24
• IUPAC Name: 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-(5-phenylbenzo[h]quinazolin-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-(4-phenylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-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: c1ccc(-c2cc3ccccc3c3nc(-c4cccc(-n5c6cc7c(cc6c6ccc8ccccc8c65)C5(c6ccccc6-7)C6CC7CC(C6)CC5C7)c4)ncc23)cc1.c1ccc(-c2cc3ccccc3cc2-n2c3cc4c(cc3c3ccc5ccccc5c32)C2(c3ccccc3-4)C3CC4CC(C3)CC2C4)nc1.c1ccc(-c2ccc(-n3c4cc5c(cc4c4c6ccccc6ccc43)-c3ccccc3C53C4CC5CC(C4)CC3C5)cc2)cc1.c1ccc2c(c1)-c1cc3c(cc1C21C2CC4CC(C2)CC1C4)c1ccc2ccccc2c1n3-c1ccc(-c2nc(-c3cc4ccccc4c4ccccc34)c3ccccc3n2)cc1
• InChI: InChI=1S/C60H43N3.C56H41N3.C47H36N2.C44H35N/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;1-2-11-35(12-3-1)46-29-37-14-5-6-17-42(37)53-49(46)32-57-55(58-53)38-15-10-16-41(28-38)59-52-31-47-44-19-8-9-20-50(44)56(39-24-33-23-34(26-39)27-40(56)25-33)51(47)30-48(52)45-22-21-36-13-4-7-18-43(36)54(45)59;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;1-2-8-29(9-3-1)30-14-17-34(18-15-30)45-41-19-16-31-10-4-5-11-35(31)43(41)38-25-37-36-12-6-7-13-39(36)44(40(37)26-42(38)45)32-21-27-20-28(23-32)24-33(44)22-27/h1-26,32-36,40-41H,27-31H2;1-22,28-34,39-40H,23-27H2;1-18,24-29,33-34H,19-23H2;1-19,25-28,32-33H,20-24H2
• InChIKey: ISBKFQDAQASFBQ-UHFFFAOYSA-N
• XLogP: 52.53
• TPSA: 84.17 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2768.58
LogP ≤ 5	52.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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-(5-phenylbenzo[h]quinazolin-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-(4-phenylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-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-[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-(5-phenylbenzo[h]quinazolin-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-(4-phenylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-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 165004174) is 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-(5-phenylbenzo[h]quinazolin-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-(4-phenylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-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-[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-(5-phenylbenzo[h]quinazolin-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-(4-phenylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-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-[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-(5-phenylbenzo[h]quinazolin-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-(4-phenylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-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 c1ccc(-c2cc3ccccc3c3nc(-c4cccc(-n5c6cc7c(cc6c6ccc8ccccc8c65)C5(c6ccccc6-7)C6CC7CC(C6)CC5C7)c4)ncc23)cc1.c1ccc(-c2cc3ccccc3cc2-n2c3cc4c(cc3c3ccc5ccccc5c32)C2(c3ccccc3-4)C3CC4CC(C3)CC2C4)nc1.c1ccc(-c2ccc(-n3c4cc5c(cc4c4c6ccccc6ccc43)-c3ccccc3C53C4CC5CC(C4)CC3C5)cc2)cc1.c1ccc2c(c1)-c1cc3c(cc1C21C2CC4CC(C2)CC1C4)c1ccc2ccccc2c1n3-c1ccc(-c2nc(-c3cc4ccccc4c4ccccc34)c3ccccc3n2)cc1.

What is the InChIKey of 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-(5-phenylbenzo[h]quinazolin-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-(4-phenylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-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 ISBKFQDAQASFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N3.C56H41N3.C47H36N2.C44H35N/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;1-2-11-35(12-3-1)46-29-37-14-5-6-17-42(37)53-49(46)32-57-55(58-53)38-15-10-16-41(28-38)59-52-31-47-44-19-8-9-20-50(44)56(39-24-33-23-34(26-39)27-40(56)25-33)51(47)30-48(52)45-22-21-36-13-4-7-18-43(36)54(45)59;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;1-2-8-29(9-3-1)30-14-17-34(18-15-30)45-41-19-16-31-10-4-5-11-35(31)43(41)38-25-37-36-12-6-7-13-39(36)44(40(37)26-42(38)45)32-21-27-20-28(23-32)24-33(44)22-27/h1-26,32-36,40-41H,27-31H2;1-22,28-34,39-40H,23-27H2;1-18,24-29,33-34H,19-23H2;1-19,25-28,32-33H,20-24H2.

What are the key properties of 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-(5-phenylbenzo[h]quinazolin-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-(4-phenylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-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-[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-(5-phenylbenzo[h]quinazolin-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-(4-phenylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-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 2768.58 g/mol, XLogP of 52.53, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(5-phenylbenzo[h]quinazolin-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-(4-phenylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-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 165004174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).