24,29-diphenyl-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene;24-(4-phenylphenyl)-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(30),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27(31),28-pentadecaene;29-(4-phenylquinazolin-2-yl)-20,29-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.023,28.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22(30),23,25,27,31,34,36-octadecaene;23-(4-phenylquinazolin-2-yl)-39-thia-20,23-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.024,29.034,38]nonatriaconta-1(38),2(7),3,5,8(13),9,11,14,16,18,21(33),22(30),24,26,28,31,34,36-octadecaene

C185H108N10S3 — CID 160668310

About 24,29-diphenyl-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene;24-(4-phenylphenyl)-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(30),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27(31),28-pentadecaene;29-(4-phenylquinazolin-2-yl)-20,29-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.023,28.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22(30),23,25,27,31,34,36-octadecaene;23-(4-phenylquinazolin-2-yl)-39-thia-20,23-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.024,29.034,38]nonatriaconta-1(38),2(7),3,5,8(13),9,11,14,16,18,21(33),22(30),24,26,28,31,34,36-octadecaene

24,29-diphenyl-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene;24-(4-phenylphenyl)-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(30),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27(31),28-pentadecaene;29-(4-phenylquinazolin-2-yl)-20,29-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.023,28.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22(30),23,25,27,31,34,36-octadecaene;23-(4-phenylquinazolin-2-yl)-39-thia-20,23-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.024,29.034,38]nonatriaconta-1(38),2(7),3,5,8(13),9,11,14,16,18,21(33),22(30),24,26,28,31,34,36-octadecaene (PubChem CID 160668310) has the molecular formula C185H108N10S3 and a molecular weight of 2567.17 g/mol. Its IUPAC name is 24,29-diphenyl-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene;24-(4-phenylphenyl)-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(30),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27(31),28-pentadecaene;29-(4-phenylquinazolin-2-yl)-20,29-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.023,28.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22(30),23,25,27,31,34,36-octadecaene;23-(4-phenylquinazolin-2-yl)-39-thia-20,23-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.024,29.034,38]nonatriaconta-1(38),2(7),3,5,8(13),9,11,14,16,18,21(33),22(30),24,26,28,31,34,36-octadecaene.

Molecular Properties

• Compound Name: 24,29-diphenyl-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene;24-(4-phenylphenyl)-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(30),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27(31),28-pentadecaene;29-(4-phenylquinazolin-2-yl)-20,29-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.023,28.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22(30),23,25,27,31,34,36-octadecaene;23-(4-phenylquinazolin-2-yl)-39-thia-20,23-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.024,29.034,38]nonatriaconta-1(38),2(7),3,5,8(13),9,11,14,16,18,21(33),22(30),24,26,28,31,34,36-octadecaene
• PubChem CID: 160668310
• Molecular Formula: C185H108N10S3
• Molecular Weight: 2567.17 g/mol
• Exact Mass: 2564.79
• IUPAC Name: 24,29-diphenyl-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene;24-(4-phenylphenyl)-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(30),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27(31),28-pentadecaene;29-(4-phenylquinazolin-2-yl)-20,29-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.023,28.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22(30),23,25,27,31,34,36-octadecaene;23-(4-phenylquinazolin-2-yl)-39-thia-20,23-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.024,29.034,38]nonatriaconta-1(38),2(7),3,5,8(13),9,11,14,16,18,21(33),22(30),24,26,28,31,34,36-octadecaene
• SMILES: c1ccc(-c2ccc(-c3ccc4c(c3)c3ccc5sc6cccc7c8ccccc8c8ccccc8n4c3c5c67)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)c4sc5cccc6c7ccccc7c7ccccc7n3c2c4c56)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c3ccc3c5cccc6c7cccc8c7c7c(cccc7c7ccccc7n(c65)c34)C8)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6cccc7c8cccc9sc%10cccc(c%11ccccc%11n(c76)c5c43)c%10c98)nc3ccccc23)cc1
• InChI: InChI=1S/C51H30N4.C50H28N4S.2C42H25NS/c1-2-13-30(14-3-1)48-39-18-4-7-24-41(39)52-51(53-48)54-43-26-9-6-19-40(43)47-44(54)28-27-38-37-23-12-22-36-35-21-11-16-32-29-31-15-10-20-34(45(31)46(32)35)33-17-5-8-25-42(33)55(49(36)37)50(38)47;1-2-13-29(14-3-1)46-38-17-4-7-22-39(38)51-50(52-46)54-41-24-9-6-16-31(41)36-27-28-37-35-21-10-20-34-33-19-12-26-43-45(33)44-32(18-11-25-42(44)55-43)30-15-5-8-23-40(30)53(47(34)35)48(37)49(36)54;1-3-12-26(13-4-1)28-22-23-37-34(24-28)35-25-33(27-14-5-2-6-15-27)42-40-39-32(19-11-21-38(39)44-42)30-17-8-7-16-29(30)31-18-9-10-20-36(31)43(37)41(35)40;1-2-9-26(10-3-1)27-17-19-28(20-18-27)29-21-23-37-35(25-29)34-22-24-39-41-40-33(14-8-16-38(40)44-39)31-12-5-4-11-30(31)32-13-6-7-15-36(32)43(37)42(34)41/h1-28H,29H2;1-28H;2*1-25H
• InChIKey: RMPHKMZZURWKLR-UHFFFAOYSA-N
• XLogP: 51.01
• TPSA: 79.06 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2567.17
LogP ≤ 5	51.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 24,29-diphenyl-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene;24-(4-phenylphenyl)-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(30),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27(31),28-pentadecaene;29-(4-phenylquinazolin-2-yl)-20,29-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.023,28.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22(30),23,25,27,31,34,36-octadecaene;23-(4-phenylquinazolin-2-yl)-39-thia-20,23-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.024,29.034,38]nonatriaconta-1(38),2(7),3,5,8(13),9,11,14,16,18,21(33),22(30),24,26,28,31,34,36-octadecaene?

The IUPAC name of 24,29-diphenyl-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene;24-(4-phenylphenyl)-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(30),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27(31),28-pentadecaene;29-(4-phenylquinazolin-2-yl)-20,29-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.023,28.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22(30),23,25,27,31,34,36-octadecaene;23-(4-phenylquinazolin-2-yl)-39-thia-20,23-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.024,29.034,38]nonatriaconta-1(38),2(7),3,5,8(13),9,11,14,16,18,21(33),22(30),24,26,28,31,34,36-octadecaene (CID 160668310) is 24,29-diphenyl-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene;24-(4-phenylphenyl)-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(30),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27(31),28-pentadecaene;29-(4-phenylquinazolin-2-yl)-20,29-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.023,28.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22(30),23,25,27,31,34,36-octadecaene;23-(4-phenylquinazolin-2-yl)-39-thia-20,23-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.024,29.034,38]nonatriaconta-1(38),2(7),3,5,8(13),9,11,14,16,18,21(33),22(30),24,26,28,31,34,36-octadecaene.

What is the SMILES notation for 24,29-diphenyl-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene;24-(4-phenylphenyl)-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(30),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27(31),28-pentadecaene;29-(4-phenylquinazolin-2-yl)-20,29-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.023,28.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22(30),23,25,27,31,34,36-octadecaene;23-(4-phenylquinazolin-2-yl)-39-thia-20,23-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.024,29.034,38]nonatriaconta-1(38),2(7),3,5,8(13),9,11,14,16,18,21(33),22(30),24,26,28,31,34,36-octadecaene?

The canonical SMILES for 24,29-diphenyl-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene;24-(4-phenylphenyl)-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(30),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27(31),28-pentadecaene;29-(4-phenylquinazolin-2-yl)-20,29-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.023,28.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22(30),23,25,27,31,34,36-octadecaene;23-(4-phenylquinazolin-2-yl)-39-thia-20,23-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.024,29.034,38]nonatriaconta-1(38),2(7),3,5,8(13),9,11,14,16,18,21(33),22(30),24,26,28,31,34,36-octadecaene is c1ccc(-c2ccc(-c3ccc4c(c3)c3ccc5sc6cccc7c8ccccc8c8ccccc8n4c3c5c67)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)c4sc5cccc6c7ccccc7c7ccccc7n3c2c4c56)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c3ccc3c5cccc6c7cccc8c7c7c(cccc7c7ccccc7n(c65)c34)C8)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6cccc7c8cccc9sc%10cccc(c%11ccccc%11n(c76)c5c43)c%10c98)nc3ccccc23)cc1.

What is the InChIKey of 24,29-diphenyl-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene;24-(4-phenylphenyl)-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(30),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27(31),28-pentadecaene;29-(4-phenylquinazolin-2-yl)-20,29-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.023,28.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22(30),23,25,27,31,34,36-octadecaene;23-(4-phenylquinazolin-2-yl)-39-thia-20,23-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.024,29.034,38]nonatriaconta-1(38),2(7),3,5,8(13),9,11,14,16,18,21(33),22(30),24,26,28,31,34,36-octadecaene?

The InChIKey is RMPHKMZZURWKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4.C50H28N4S.2C42H25NS/c1-2-13-30(14-3-1)48-39-18-4-7-24-41(39)52-51(53-48)54-43-26-9-6-19-40(43)47-44(54)28-27-38-37-23-12-22-36-35-21-11-16-32-29-31-15-10-20-34(45(31)46(32)35)33-17-5-8-25-42(33)55(49(36)37)50(38)47;1-2-13-29(14-3-1)46-38-17-4-7-22-39(38)51-50(52-46)54-41-24-9-6-16-31(41)36-27-28-37-35-21-10-20-34-33-19-12-26-43-45(33)44-32(18-11-25-42(44)55-43)30-15-5-8-23-40(30)53(47(34)35)48(37)49(36)54;1-3-12-26(13-4-1)28-22-23-37-34(24-28)35-25-33(27-14-5-2-6-15-27)42-40-39-32(19-11-21-38(39)44-42)30-17-8-7-16-29(30)31-18-9-10-20-36(31)43(37)41(35)40;1-2-9-26(10-3-1)27-17-19-28(20-18-27)29-21-23-37-35(25-29)34-22-24-39-41-40-33(14-8-16-38(40)44-39)31-12-5-4-11-30(31)32-13-6-7-15-36(32)43(37)42(34)41/h1-28H,29H2;1-28H;2*1-25H.

What are the key properties of 24,29-diphenyl-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene;24-(4-phenylphenyl)-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(30),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27(31),28-pentadecaene;29-(4-phenylquinazolin-2-yl)-20,29-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.023,28.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22(30),23,25,27,31,34,36-octadecaene;23-(4-phenylquinazolin-2-yl)-39-thia-20,23-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.024,29.034,38]nonatriaconta-1(38),2(7),3,5,8(13),9,11,14,16,18,21(33),22(30),24,26,28,31,34,36-octadecaene?

24,29-diphenyl-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene;24-(4-phenylphenyl)-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(30),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27(31),28-pentadecaene;29-(4-phenylquinazolin-2-yl)-20,29-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.023,28.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22(30),23,25,27,31,34,36-octadecaene;23-(4-phenylquinazolin-2-yl)-39-thia-20,23-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.024,29.034,38]nonatriaconta-1(38),2(7),3,5,8(13),9,11,14,16,18,21(33),22(30),24,26,28,31,34,36-octadecaene has a molecular weight of 2567.17 g/mol, XLogP of 51.01, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 24,29-diphenyl-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene;24-(4-phenylphenyl)-32-thia-20-azaoctacyclo[18.10.1.13,30.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(30),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27(31),28-pentadecaene;29-(4-phenylquinazolin-2-yl)-20,29-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.023,28.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22(30),23,25,27,31,34,36-octadecaene;23-(4-phenylquinazolin-2-yl)-39-thia-20,23-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.022,30.024,29.034,38]nonatriaconta-1(38),2(7),3,5,8(13),9,11,14,16,18,21(33),22(30),24,26,28,31,34,36-octadecaene is sourced from PubChem (CID 160668310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).