24,24-dimethyl-3-(4-phenylquinazolin-2-yl)-3,12,15-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-oxa-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C145H87N21OS — CID 157065558

About 24,24-dimethyl-3-(4-phenylquinazolin-2-yl)-3,12,15-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-oxa-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

24,24-dimethyl-3-(4-phenylquinazolin-2-yl)-3,12,15-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-oxa-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 157065558) has the molecular formula C145H87N21OS and a molecular weight of 2171.50 g/mol. Its IUPAC name is 24,24-dimethyl-3-(4-phenylquinazolin-2-yl)-3,12,15-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-oxa-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

• Compound Name: 24,24-dimethyl-3-(4-phenylquinazolin-2-yl)-3,12,15-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-oxa-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• PubChem CID: 157065558
• Molecular Formula: C145H87N21OS
• Molecular Weight: 2171.50 g/mol
• Exact Mass: 2169.71
• IUPAC Name: 24,24-dimethyl-3-(4-phenylquinazolin-2-yl)-3,12,15-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-oxa-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• SMILES: CC1(C)c2ccccc2-c2c1c1c(c3ccccc3n1-c1nc(-c3ccccc3)c3ccccc3n1)c1nccnc21.c1ccc(-c2nc(-n3c4ccccc4c4c5nccnc5c5c6ccccc6oc5c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5nccnc5c5c6ccccc6sc5c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ncncc5c5c6ccccc6n(-c6ccccc6)c5c43)nc3ccccc23)cc1
• InChI: InChI=1S/C40H24N6.C37H25N5.C34H19N5O.C34H19N5S/c1-3-13-25(14-4-1)36-27-17-7-10-20-31(27)43-40(44-36)46-33-22-12-9-19-29(33)35-37-30(23-41-24-42-37)34-28-18-8-11-21-32(28)45(38(34)39(35)46)26-15-5-2-6-16-26;1-37(2)26-17-9-6-14-23(26)29-31(37)35-30(34-33(29)38-20-21-39-34)25-16-8-11-19-28(25)42(35)36-40-27-18-10-7-15-24(27)32(41-36)22-12-4-3-5-13-22;2*1-2-10-20(11-3-1)29-21-12-4-7-15-24(21)37-34(38-29)39-25-16-8-5-13-22(25)27-30-31(36-19-18-35-30)28-23-14-6-9-17-26(23)40-33(28)32(27)39/h1-24H;3-21H,1-2H3;2*1-19H
• InChIKey: ABVJEDBYENQQGU-UHFFFAOYSA-N
• XLogP: 35.02
• TPSA: 244.03 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 9
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2171.50
LogP ≤ 5	35.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 24,24-dimethyl-3-(4-phenylquinazolin-2-yl)-3,12,15-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-oxa-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The IUPAC name of 24,24-dimethyl-3-(4-phenylquinazolin-2-yl)-3,12,15-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-oxa-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 157065558) is 24,24-dimethyl-3-(4-phenylquinazolin-2-yl)-3,12,15-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-oxa-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

What is the SMILES notation for 24,24-dimethyl-3-(4-phenylquinazolin-2-yl)-3,12,15-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-oxa-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The canonical SMILES for 24,24-dimethyl-3-(4-phenylquinazolin-2-yl)-3,12,15-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-oxa-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is CC1(C)c2ccccc2-c2c1c1c(c3ccccc3n1-c1nc(-c3ccccc3)c3ccccc3n1)c1nccnc21.c1ccc(-c2nc(-n3c4ccccc4c4c5nccnc5c5c6ccccc6oc5c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5nccnc5c5c6ccccc6sc5c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ncncc5c5c6ccccc6n(-c6ccccc6)c5c43)nc3ccccc23)cc1.

What is the InChIKey of 24,24-dimethyl-3-(4-phenylquinazolin-2-yl)-3,12,15-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-oxa-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The InChIKey is ABVJEDBYENQQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N6.C37H25N5.C34H19N5O.C34H19N5S/c1-3-13-25(14-4-1)36-27-17-7-10-20-31(27)43-40(44-36)46-33-22-12-9-19-29(33)35-37-30(23-41-24-42-37)34-28-18-8-11-21-32(28)45(38(34)39(35)46)26-15-5-2-6-16-26;1-37(2)26-17-9-6-14-23(26)29-31(37)35-30(34-33(29)38-20-21-39-34)25-16-8-11-19-28(25)42(35)36-40-27-18-10-7-15-24(27)32(41-36)22-12-4-3-5-13-22;2*1-2-10-20(11-3-1)29-21-12-4-7-15-24(21)37-34(38-29)39-25-16-8-5-13-22(25)27-30-31(36-19-18-35-30)28-23-14-6-9-17-26(23)40-33(28)32(27)39/h1-24H;3-21H,1-2H3;2*1-19H.

What are the key properties of 24,24-dimethyl-3-(4-phenylquinazolin-2-yl)-3,12,15-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-oxa-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

24,24-dimethyl-3-(4-phenylquinazolin-2-yl)-3,12,15-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-oxa-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 2171.50 g/mol, XLogP of 35.02, 9 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 24,24-dimethyl-3-(4-phenylquinazolin-2-yl)-3,12,15-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-oxa-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 157065558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).