4,5-diphenyl-2-(14-pyridin-3-yl-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;4,5-diphenyl-2-(11-pyridin-3-ylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;4,5-diphenyl-2-(7-pyridin-3-ylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole

C114H72N12O3 — CID 161051988

About 4,5-diphenyl-2-(14-pyridin-3-yl-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;4,5-diphenyl-2-(11-pyridin-3-ylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;4,5-diphenyl-2-(7-pyridin-3-ylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole

4,5-diphenyl-2-(14-pyridin-3-yl-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;4,5-diphenyl-2-(11-pyridin-3-ylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;4,5-diphenyl-2-(7-pyridin-3-ylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole (PubChem CID 161051988) has the molecular formula C114H72N12O3 and a molecular weight of 1657.91 g/mol. Its IUPAC name is 4,5-diphenyl-2-(14-pyridin-3-yl-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;4,5-diphenyl-2-(11-pyridin-3-ylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;4,5-diphenyl-2-(7-pyridin-3-ylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole.

Molecular Properties

• Compound Name: 4,5-diphenyl-2-(14-pyridin-3-yl-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;4,5-diphenyl-2-(11-pyridin-3-ylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;4,5-diphenyl-2-(7-pyridin-3-ylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole
• PubChem CID: 161051988
• Molecular Formula: C114H72N12O3
• Molecular Weight: 1657.91 g/mol
• Exact Mass: 1656.59
• IUPAC Name: 4,5-diphenyl-2-(14-pyridin-3-yl-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;4,5-diphenyl-2-(11-pyridin-3-ylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;4,5-diphenyl-2-(7-pyridin-3-ylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole
• SMILES: c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccnc6)c5ccc43)oc2-c2ccccc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccnc6)c5cc43)oc2-c2ccccc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccnc6)c5c43)oc2-c2ccccc2)cc1
• InChI: InChI=1S/3C38H24N4O/c1-3-12-25(13-4-1)34-37(26-14-5-2-6-15-26)43-38(40-34)42-33-20-10-8-18-29(33)31-22-21-30-28-17-7-9-19-32(28)41(35(30)36(31)42)27-16-11-23-39-24-27;1-3-12-25(13-4-1)36-37(26-14-5-2-6-15-26)43-38(40-36)42-31-20-10-8-18-29(31)35-33(42)22-21-32-34(35)28-17-7-9-19-30(28)41(32)27-16-11-23-39-24-27;1-3-12-25(13-4-1)36-37(26-14-5-2-6-15-26)43-38(40-36)42-33-20-10-8-18-29(33)31-22-30-28-17-7-9-19-32(28)41(34(30)23-35(31)42)27-16-11-21-39-24-27/h3*1-24H
• InChIKey: UCGIXVMQGJLAEK-UHFFFAOYSA-N
• XLogP: 28.79
• TPSA: 146.34 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1657.91
LogP ≤ 5	28.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-2-(14-pyridin-3-yl-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;4,5-diphenyl-2-(11-pyridin-3-ylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;4,5-diphenyl-2-(7-pyridin-3-ylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole?

The IUPAC name of 4,5-diphenyl-2-(14-pyridin-3-yl-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;4,5-diphenyl-2-(11-pyridin-3-ylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;4,5-diphenyl-2-(7-pyridin-3-ylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole (CID 161051988) is 4,5-diphenyl-2-(14-pyridin-3-yl-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;4,5-diphenyl-2-(11-pyridin-3-ylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;4,5-diphenyl-2-(7-pyridin-3-ylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole.

What is the SMILES notation for 4,5-diphenyl-2-(14-pyridin-3-yl-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;4,5-diphenyl-2-(11-pyridin-3-ylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;4,5-diphenyl-2-(7-pyridin-3-ylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole?

The canonical SMILES for 4,5-diphenyl-2-(14-pyridin-3-yl-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;4,5-diphenyl-2-(11-pyridin-3-ylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;4,5-diphenyl-2-(7-pyridin-3-ylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole is c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccnc6)c5ccc43)oc2-c2ccccc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccnc6)c5cc43)oc2-c2ccccc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccnc6)c5c43)oc2-c2ccccc2)cc1.

What is the InChIKey of 4,5-diphenyl-2-(14-pyridin-3-yl-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;4,5-diphenyl-2-(11-pyridin-3-ylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;4,5-diphenyl-2-(7-pyridin-3-ylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole?

The InChIKey is UCGIXVMQGJLAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C38H24N4O/c1-3-12-25(13-4-1)34-37(26-14-5-2-6-15-26)43-38(40-34)42-33-20-10-8-18-29(33)31-22-21-30-28-17-7-9-19-32(28)41(35(30)36(31)42)27-16-11-23-39-24-27;1-3-12-25(13-4-1)36-37(26-14-5-2-6-15-26)43-38(40-36)42-31-20-10-8-18-29(31)35-33(42)22-21-32-34(35)28-17-7-9-19-30(28)41(32)27-16-11-23-39-24-27;1-3-12-25(13-4-1)36-37(26-14-5-2-6-15-26)43-38(40-36)42-33-20-10-8-18-29(33)31-22-30-28-17-7-9-19-32(28)41(34(30)23-35(31)42)27-16-11-21-39-24-27/h3*1-24H.

What are the key properties of 4,5-diphenyl-2-(14-pyridin-3-yl-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;4,5-diphenyl-2-(11-pyridin-3-ylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;4,5-diphenyl-2-(7-pyridin-3-ylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole?

4,5-diphenyl-2-(14-pyridin-3-yl-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;4,5-diphenyl-2-(11-pyridin-3-ylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;4,5-diphenyl-2-(7-pyridin-3-ylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole has a molecular weight of 1657.91 g/mol, XLogP of 28.79, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-diphenyl-2-(14-pyridin-3-yl-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;4,5-diphenyl-2-(11-pyridin-3-ylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;4,5-diphenyl-2-(7-pyridin-3-ylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole is sourced from PubChem (CID 161051988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).