18-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-naphthalen-1-ylquinazolin-2-yl)-22-naphtho[2,1-b][1]benzothiol-10-yl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;9-(4-phenylbenzo[h]quinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;9-[4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene

C200H115N13S6 — CID 160896313

About 18-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-naphthalen-1-ylquinazolin-2-yl)-22-naphtho[2,1-b][1]benzothiol-10-yl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;9-(4-phenylbenzo[h]quinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;9-[4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene

18-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-naphthalen-1-ylquinazolin-2-yl)-22-naphtho[2,1-b][1]benzothiol-10-yl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;9-(4-phenylbenzo[h]quinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;9-[4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene (PubChem CID 160896313) has the molecular formula C200H115N13S6 and a molecular weight of 2892.61 g/mol. Its IUPAC name is 18-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-naphthalen-1-ylquinazolin-2-yl)-22-naphtho[2,1-b][1]benzothiol-10-yl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;9-(4-phenylbenzo[h]quinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;9-[4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene.

Molecular Properties

• Compound Name: 18-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-naphthalen-1-ylquinazolin-2-yl)-22-naphtho[2,1-b][1]benzothiol-10-yl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;9-(4-phenylbenzo[h]quinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;9-[4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
• PubChem CID: 160896313
• Molecular Formula: C200H115N13S6
• Molecular Weight: 2892.61 g/mol
• Exact Mass: 2889.77
• IUPAC Name: 18-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-naphthalen-1-ylquinazolin-2-yl)-22-naphtho[2,1-b][1]benzothiol-10-yl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;9-(4-phenylbenzo[h]quinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;9-[4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
• SMILES: c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-n3c4ccccc4c4c5c6ccccc6sc5c5ccccc5c43)n2)cc1.c1ccc(-c2cccc(-c3nc(-n4c5ccccc5c5c6sc7ccccc7c6c6ccccc6c54)nc4c3sc3ccccc34)c2)cc1.c1ccc(-c2nc(-n3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4c4c5sc6ccccc6c5c5ccccc5c43)nc3c2ccc2ccccc23)cc1.c1ccc2c(-c3nc(-n4c5ccc(-c6ccc7sc8ccc9ccccc9c8c7c6)cc5c5c6c7ccccc7sc6c6ccccc6c54)nc4ccccc34)cccc2c1
• InChI: InChI=1S/C58H34N4S.C56H31N3S2.C44H25N3S2.C42H25N3S/c1-3-16-36(17-4-1)54-46-31-27-35-15-7-8-20-40(35)55(46)60-58(59-54)62-50-34-38(37-29-32-49-47(33-37)41-21-11-13-25-48(41)61(49)39-18-5-2-6-19-39)28-30-44(50)53-56(62)43-23-10-9-22-42(43)52-45-24-12-14-26-51(45)63-57(52)53;1-3-15-36-32(12-1)14-11-21-38(36)53-41-19-7-9-22-45(41)57-56(58-53)59-46-27-24-34(35-26-28-48-44(31-35)50-37-16-4-2-13-33(37)25-29-49(50)60-48)30-43(46)51-52-42-20-8-10-23-47(42)61-55(52)40-18-6-5-17-39(40)54(51)59;1-2-13-26(14-3-1)27-15-12-16-28(25-27)39-43-40(33-21-8-11-24-36(33)49-43)46-44(45-39)47-34-22-9-6-19-31(34)38-41(47)30-18-5-4-17-29(30)37-32-20-7-10-23-35(32)48-42(37)38;1-2-13-27(14-3-1)34-25-35(29-23-22-26-12-4-5-15-28(26)24-29)44-42(43-34)45-36-20-10-8-18-32(36)38-39-33-19-9-11-21-37(33)46-41(39)31-17-7-6-16-30(31)40(38)45/h1-34H;1-31H;1-25H;1-25H
• InChIKey: SOXNZSDVVAIAHH-UHFFFAOYSA-N
• XLogP: 56.47
• TPSA: 127.77 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2892.61
LogP ≤ 5	56.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 18-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-naphthalen-1-ylquinazolin-2-yl)-22-naphtho[2,1-b][1]benzothiol-10-yl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;9-(4-phenylbenzo[h]quinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;9-[4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?

The IUPAC name of 18-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-naphthalen-1-ylquinazolin-2-yl)-22-naphtho[2,1-b][1]benzothiol-10-yl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;9-(4-phenylbenzo[h]quinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;9-[4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene (CID 160896313) is 18-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-naphthalen-1-ylquinazolin-2-yl)-22-naphtho[2,1-b][1]benzothiol-10-yl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;9-(4-phenylbenzo[h]quinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;9-[4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene.

What is the SMILES notation for 18-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-naphthalen-1-ylquinazolin-2-yl)-22-naphtho[2,1-b][1]benzothiol-10-yl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;9-(4-phenylbenzo[h]quinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;9-[4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?

The canonical SMILES for 18-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-naphthalen-1-ylquinazolin-2-yl)-22-naphtho[2,1-b][1]benzothiol-10-yl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;9-(4-phenylbenzo[h]quinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;9-[4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene is c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-n3c4ccccc4c4c5c6ccccc6sc5c5ccccc5c43)n2)cc1.c1ccc(-c2cccc(-c3nc(-n4c5ccccc5c5c6sc7ccccc7c6c6ccccc6c54)nc4c3sc3ccccc34)c2)cc1.c1ccc(-c2nc(-n3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4c4c5sc6ccccc6c5c5ccccc5c43)nc3c2ccc2ccccc23)cc1.c1ccc2c(-c3nc(-n4c5ccc(-c6ccc7sc8ccc9ccccc9c8c7c6)cc5c5c6c7ccccc7sc6c6ccccc6c54)nc4ccccc34)cccc2c1.

What is the InChIKey of 18-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-naphthalen-1-ylquinazolin-2-yl)-22-naphtho[2,1-b][1]benzothiol-10-yl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;9-(4-phenylbenzo[h]quinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;9-[4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?

The InChIKey is SOXNZSDVVAIAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N4S.C56H31N3S2.C44H25N3S2.C42H25N3S/c1-3-16-36(17-4-1)54-46-31-27-35-15-7-8-20-40(35)55(46)60-58(59-54)62-50-34-38(37-29-32-49-47(33-37)41-21-11-13-25-48(41)61(49)39-18-5-2-6-19-39)28-30-44(50)53-56(62)43-23-10-9-22-42(43)52-45-24-12-14-26-51(45)63-57(52)53;1-3-15-36-32(12-1)14-11-21-38(36)53-41-19-7-9-22-45(41)57-56(58-53)59-46-27-24-34(35-26-28-48-44(31-35)50-37-16-4-2-13-33(37)25-29-49(50)60-48)30-43(46)51-52-42-20-8-10-23-47(42)61-55(52)40-18-6-5-17-39(40)54(51)59;1-2-13-26(14-3-1)27-15-12-16-28(25-27)39-43-40(33-21-8-11-24-36(33)49-43)46-44(45-39)47-34-22-9-6-19-31(34)38-41(47)30-18-5-4-17-29(30)37-32-20-7-10-23-35(32)48-42(37)38;1-2-13-27(14-3-1)34-25-35(29-23-22-26-12-4-5-15-28(26)24-29)44-42(43-34)45-36-20-10-8-18-32(36)38-39-33-19-9-11-21-37(33)46-41(39)31-17-7-6-16-30(31)40(38)45/h1-34H;1-31H;1-25H;1-25H.

What are the key properties of 18-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-naphthalen-1-ylquinazolin-2-yl)-22-naphtho[2,1-b][1]benzothiol-10-yl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;9-(4-phenylbenzo[h]quinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;9-[4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?

18-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-naphthalen-1-ylquinazolin-2-yl)-22-naphtho[2,1-b][1]benzothiol-10-yl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;9-(4-phenylbenzo[h]quinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;9-[4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene has a molecular weight of 2892.61 g/mol, XLogP of 56.47, 13 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 18-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-naphthalen-1-ylquinazolin-2-yl)-22-naphtho[2,1-b][1]benzothiol-10-yl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;9-(4-phenylbenzo[h]quinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;9-[4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 160896313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).