10,10-dimethyl-33-(4-phenylquinazolin-2-yl)-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2,4,6,8,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;10-phenyl-33-(3-phenylquinoxalin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;33-(4-phenylquinazolin-2-yl)-10-thia-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;33-(3-phenylquinoxalin-2-yl)-10-oxa-21,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2(14),3(11),4,6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaene

C185H107N17OS — CID 160663608

About 10,10-dimethyl-33-(4-phenylquinazolin-2-yl)-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2,4,6,8,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;10-phenyl-33-(3-phenylquinoxalin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;33-(4-phenylquinazolin-2-yl)-10-thia-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;33-(3-phenylquinoxalin-2-yl)-10-oxa-21,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2(14),3(11),4,6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaene

10,10-dimethyl-33-(4-phenylquinazolin-2-yl)-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2,4,6,8,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;10-phenyl-33-(3-phenylquinoxalin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;33-(4-phenylquinazolin-2-yl)-10-thia-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;33-(3-phenylquinoxalin-2-yl)-10-oxa-21,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2(14),3(11),4,6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaene (PubChem CID 160663608) has the molecular formula C185H107N17OS and a molecular weight of 2616.08 g/mol. Its IUPAC name is 10,10-dimethyl-33-(4-phenylquinazolin-2-yl)-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2,4,6,8,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;10-phenyl-33-(3-phenylquinoxalin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;33-(4-phenylquinazolin-2-yl)-10-thia-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;33-(3-phenylquinoxalin-2-yl)-10-oxa-21,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2(14),3(11),4,6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaene.

Molecular Properties

• Compound Name: 10,10-dimethyl-33-(4-phenylquinazolin-2-yl)-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2,4,6,8,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;10-phenyl-33-(3-phenylquinoxalin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;33-(4-phenylquinazolin-2-yl)-10-thia-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;33-(3-phenylquinoxalin-2-yl)-10-oxa-21,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2(14),3(11),4,6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaene
• PubChem CID: 160663608
• Molecular Formula: C185H107N17OS
• Molecular Weight: 2616.08 g/mol
• Exact Mass: 2613.86
• IUPAC Name: 10,10-dimethyl-33-(4-phenylquinazolin-2-yl)-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2,4,6,8,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;10-phenyl-33-(3-phenylquinoxalin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;33-(4-phenylquinazolin-2-yl)-10-thia-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;33-(3-phenylquinoxalin-2-yl)-10-oxa-21,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2(14),3(11),4,6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaene
• SMILES: CC1(C)c2ccccc2-c2c1cc1c3c4c(cccc4n1-c1nc(-c4ccccc4)c4ccccc4n1)c1cccc4c5ccccc5n(c23)c14.c1ccc(-c2nc(-n3c4cccc5c6cccc7c8ccccc8n(c67)c6c7c(cc3c6c54)sc3ccccc37)nc3ccccc23)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3cc4c(c5ccccc5n4-c4ccccc4)c4c5cccc6c7ccccc7n(c7cccc2c7c43)c65)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3cc4oc5ccccc5c4c4c5cccc6c7ccccc7n(c7cccc2c7c43)c65)cc1
• InChI: InChI=1S/C50H29N5.C47H30N4.C44H24N4O.C44H24N4S/c1-3-15-30(16-4-1)48-50(52-37-24-10-9-23-36(37)51-48)55-41-28-14-27-40-46(41)47-43(55)29-42-44(34-20-8-12-26-39(34)53(42)31-17-5-2-6-18-31)45(47)35-22-13-21-33-32-19-7-11-25-38(32)54(40)49(33)35;1-47(2)34-22-9-6-17-32(34)40-35(47)26-39-42-41-29(31-21-12-20-30-28-16-8-11-24-37(28)51(44(30)31)45(40)42)19-13-25-38(41)50(39)46-48-36-23-10-7-18-33(36)43(49-46)27-14-4-3-5-15-27;1-2-12-25(13-3-1)42-44(46-31-19-7-6-18-30(31)45-42)48-34-22-11-21-33-40(34)41-35(48)24-37-38(28-15-5-9-23-36(28)49-37)39(41)29-17-10-16-27-26-14-4-8-20-32(26)47(33)43(27)29;1-2-12-25(13-3-1)41-30-15-4-7-20-32(30)45-44(46-41)47-34-22-11-17-27-29-19-10-18-28-26-14-5-8-21-33(26)48(42(28)29)43-39-31-16-6-9-23-36(31)49-37(39)24-35(47)40(43)38(27)34/h1-29H;3-26H,1-2H3;2*1-24H
• InChIKey: RLZPGYJUWGXCPL-UHFFFAOYSA-N
• XLogP: 47.85
• TPSA: 158.55 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 9
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2616.08
LogP ≤ 5	47.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-33-(4-phenylquinazolin-2-yl)-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2,4,6,8,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;10-phenyl-33-(3-phenylquinoxalin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;33-(4-phenylquinazolin-2-yl)-10-thia-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;33-(3-phenylquinoxalin-2-yl)-10-oxa-21,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2(14),3(11),4,6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaene?

The IUPAC name of 10,10-dimethyl-33-(4-phenylquinazolin-2-yl)-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2,4,6,8,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;10-phenyl-33-(3-phenylquinoxalin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;33-(4-phenylquinazolin-2-yl)-10-thia-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;33-(3-phenylquinoxalin-2-yl)-10-oxa-21,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2(14),3(11),4,6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaene (CID 160663608) is 10,10-dimethyl-33-(4-phenylquinazolin-2-yl)-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2,4,6,8,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;10-phenyl-33-(3-phenylquinoxalin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;33-(4-phenylquinazolin-2-yl)-10-thia-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;33-(3-phenylquinoxalin-2-yl)-10-oxa-21,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2(14),3(11),4,6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaene.

What is the SMILES notation for 10,10-dimethyl-33-(4-phenylquinazolin-2-yl)-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2,4,6,8,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;10-phenyl-33-(3-phenylquinoxalin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;33-(4-phenylquinazolin-2-yl)-10-thia-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;33-(3-phenylquinoxalin-2-yl)-10-oxa-21,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2(14),3(11),4,6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaene?

The canonical SMILES for 10,10-dimethyl-33-(4-phenylquinazolin-2-yl)-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2,4,6,8,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;10-phenyl-33-(3-phenylquinoxalin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;33-(4-phenylquinazolin-2-yl)-10-thia-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;33-(3-phenylquinoxalin-2-yl)-10-oxa-21,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2(14),3(11),4,6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaene is CC1(C)c2ccccc2-c2c1cc1c3c4c(cccc4n1-c1nc(-c4ccccc4)c4ccccc4n1)c1cccc4c5ccccc5n(c23)c14.c1ccc(-c2nc(-n3c4cccc5c6cccc7c8ccccc8n(c67)c6c7c(cc3c6c54)sc3ccccc37)nc3ccccc23)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3cc4c(c5ccccc5n4-c4ccccc4)c4c5cccc6c7ccccc7n(c7cccc2c7c43)c65)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3cc4oc5ccccc5c4c4c5cccc6c7ccccc7n(c7cccc2c7c43)c65)cc1.

What is the InChIKey of 10,10-dimethyl-33-(4-phenylquinazolin-2-yl)-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2,4,6,8,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;10-phenyl-33-(3-phenylquinoxalin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;33-(4-phenylquinazolin-2-yl)-10-thia-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;33-(3-phenylquinoxalin-2-yl)-10-oxa-21,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2(14),3(11),4,6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaene?

The InChIKey is RLZPGYJUWGXCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5.C47H30N4.C44H24N4O.C44H24N4S/c1-3-15-30(16-4-1)48-50(52-37-24-10-9-23-36(37)51-48)55-41-28-14-27-40-46(41)47-43(55)29-42-44(34-20-8-12-26-39(34)53(42)31-17-5-2-6-18-31)45(47)35-22-13-21-33-32-19-7-11-25-38(32)54(40)49(33)35;1-47(2)34-22-9-6-17-32(34)40-35(47)26-39-42-41-29(31-21-12-20-30-28-16-8-11-24-37(28)51(44(30)31)45(40)42)19-13-25-38(41)50(39)46-48-36-23-10-7-18-33(36)43(49-46)27-14-4-3-5-15-27;1-2-12-25(13-3-1)42-44(46-31-19-7-6-18-30(31)45-42)48-34-22-11-21-33-40(34)41-35(48)24-37-38(28-15-5-9-23-36(28)49-37)39(41)29-17-10-16-27-26-14-4-8-20-32(26)47(33)43(27)29;1-2-12-25(13-3-1)41-30-15-4-7-20-32(30)45-44(46-41)47-34-22-11-17-27-29-19-10-18-28-26-14-5-8-21-33(26)48(42(28)29)43-39-31-16-6-9-23-36(31)49-37(39)24-35(47)40(43)38(27)34/h1-29H;3-26H,1-2H3;2*1-24H.

What are the key properties of 10,10-dimethyl-33-(4-phenylquinazolin-2-yl)-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2,4,6,8,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;10-phenyl-33-(3-phenylquinoxalin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;33-(4-phenylquinazolin-2-yl)-10-thia-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;33-(3-phenylquinoxalin-2-yl)-10-oxa-21,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2(14),3(11),4,6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaene?

10,10-dimethyl-33-(4-phenylquinazolin-2-yl)-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2,4,6,8,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;10-phenyl-33-(3-phenylquinoxalin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;33-(4-phenylquinazolin-2-yl)-10-thia-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;33-(3-phenylquinoxalin-2-yl)-10-oxa-21,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2(14),3(11),4,6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaene has a molecular weight of 2616.08 g/mol, XLogP of 47.85, 9 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-dimethyl-33-(4-phenylquinazolin-2-yl)-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2,4,6,8,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;10-phenyl-33-(3-phenylquinoxalin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;33-(4-phenylquinazolin-2-yl)-10-thia-1,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.025,32.026,31]tritriaconta-2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(32),26,28,30-pentadecaene;33-(3-phenylquinoxalin-2-yl)-10-oxa-21,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2(14),3(11),4,6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaene is sourced from PubChem (CID 160663608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).