2-phenyl-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole

C99H63N9O3 — CID 159713335

About 2-phenyl-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole

2-phenyl-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole (PubChem CID 159713335) has the molecular formula C99H63N9O3 and a molecular weight of 1426.65 g/mol. Its IUPAC name is 2-phenyl-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole.

Molecular Properties

• Compound Name: 2-phenyl-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole
• PubChem CID: 159713335
• Molecular Formula: C99H63N9O3
• Molecular Weight: 1426.65 g/mol
• Exact Mass: 1425.51
• IUPAC Name: 2-phenyl-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole
• SMILES: c1ccc(-c2ncc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)o2)cc1.c1ccc(-c2ncc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)o2)cc1.c1ccc(-c2ncc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)o2)cc1
• InChI: InChI=1S/3C33H21N3O/c1-3-11-22(12-4-1)33-34-21-32(37-33)36-29-18-10-8-16-25(29)27-19-26-24-15-7-9-17-28(24)35(30(26)20-31(27)36)23-13-5-2-6-14-23;1-3-11-22(12-4-1)33-34-21-30(37-33)36-29-18-10-8-16-25(29)27-20-19-26-24-15-7-9-17-28(24)35(31(26)32(27)36)23-13-5-2-6-14-23;1-3-11-22(12-4-1)33-34-21-30(37-33)36-27-18-10-8-16-25(27)32-29(36)20-19-28-31(32)24-15-7-9-17-26(24)35(28)23-13-5-2-6-14-23/h3*1-21H
• InChIKey: MZCRINRWAWOGRR-UHFFFAOYSA-N
• XLogP: 25.61
• TPSA: 107.67 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1426.65
LogP ≤ 5	25.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole?

The IUPAC name of 2-phenyl-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole (CID 159713335) is 2-phenyl-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole.

What is the SMILES notation for 2-phenyl-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole?

The canonical SMILES for 2-phenyl-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole is c1ccc(-c2ncc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)o2)cc1.c1ccc(-c2ncc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)o2)cc1.c1ccc(-c2ncc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)o2)cc1.

What is the InChIKey of 2-phenyl-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole?

The InChIKey is MZCRINRWAWOGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C33H21N3O/c1-3-11-22(12-4-1)33-34-21-32(37-33)36-29-18-10-8-16-25(29)27-19-26-24-15-7-9-17-28(24)35(30(26)20-31(27)36)23-13-5-2-6-14-23;1-3-11-22(12-4-1)33-34-21-30(37-33)36-29-18-10-8-16-25(29)27-20-19-26-24-15-7-9-17-28(24)35(31(26)32(27)36)23-13-5-2-6-14-23;1-3-11-22(12-4-1)33-34-21-30(37-33)36-27-18-10-8-16-25(27)32-29(36)20-19-28-31(32)24-15-7-9-17-26(24)35(28)23-13-5-2-6-14-23/h3*1-21H.

What are the key properties of 2-phenyl-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole?

2-phenyl-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole has a molecular weight of 1426.65 g/mol, XLogP of 25.61, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole is sourced from PubChem (CID 159713335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).