N,N-diphenyl-4-(6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaen-9-yl)aniline;9-naphthalen-2-yl-6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene;6-phenyl-9-(9-phenylcarbazol-3-yl)-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene

C115H72N8O3 — CID 157390097

About N,N-diphenyl-4-(6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaen-9-yl)aniline;9-naphthalen-2-yl-6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene;6-phenyl-9-(9-phenylcarbazol-3-yl)-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene

N,N-diphenyl-4-(6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaen-9-yl)aniline;9-naphthalen-2-yl-6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene;6-phenyl-9-(9-phenylcarbazol-3-yl)-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene (PubChem CID 157390097) has the molecular formula C115H72N8O3 and a molecular weight of 1613.89 g/mol. Its IUPAC name is N,N-diphenyl-4-(6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaen-9-yl)aniline;9-naphthalen-2-yl-6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene;6-phenyl-9-(9-phenylcarbazol-3-yl)-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene.

Molecular Properties

• Compound Name: N,N-diphenyl-4-(6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaen-9-yl)aniline;9-naphthalen-2-yl-6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene;6-phenyl-9-(9-phenylcarbazol-3-yl)-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene
• PubChem CID: 157390097
• Molecular Formula: C115H72N8O3
• Molecular Weight: 1613.89 g/mol
• Exact Mass: 1612.57
• IUPAC Name: N,N-diphenyl-4-(6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaen-9-yl)aniline;9-naphthalen-2-yl-6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene;6-phenyl-9-(9-phenylcarbazol-3-yl)-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene
• SMILES: c1ccc(-n2cnc3c4c(ccc5c6ccccc6oc54)c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)cc1.c1ccc(-n2cnc3c4c(ccc5c6ccccc6oc54)c(-c4ccc5ccccc5c4)cc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4c(ncn4-c4ccccc4)c4c3ccc3c5ccccc5oc34)cc2)cc1
• InChI: InChI=1S/C41H25N3O.C41H27N3O.C33H20N2O/c1-3-11-27(12-4-1)43-25-42-40-37(43)24-33(31-20-21-32-30-16-8-10-18-38(30)45-41(32)39(31)40)26-19-22-36-34(23-26)29-15-7-9-17-35(29)44(36)28-13-5-2-6-14-28;1-4-12-29(13-5-1)43-27-42-40-37(43)26-36(34-24-25-35-33-18-10-11-19-38(33)45-41(35)39(34)40)28-20-22-32(23-21-28)44(30-14-6-2-7-15-30)31-16-8-3-9-17-31;1-2-10-24(11-3-1)35-20-34-32-29(35)19-28(23-15-14-21-8-4-5-9-22(21)18-23)26-16-17-27-25-12-6-7-13-30(25)36-33(27)31(26)32/h1-25H;1-27H;1-20H
• InChIKey: BLXBPSDDZCUYQS-UHFFFAOYSA-N
• XLogP: 30.96
• TPSA: 101.05 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1613.89
LogP ≤ 5	30.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaen-9-yl)aniline;9-naphthalen-2-yl-6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene;6-phenyl-9-(9-phenylcarbazol-3-yl)-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene?

The IUPAC name of N,N-diphenyl-4-(6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaen-9-yl)aniline;9-naphthalen-2-yl-6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene;6-phenyl-9-(9-phenylcarbazol-3-yl)-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene (CID 157390097) is N,N-diphenyl-4-(6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaen-9-yl)aniline;9-naphthalen-2-yl-6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene;6-phenyl-9-(9-phenylcarbazol-3-yl)-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene.

What is the SMILES notation for N,N-diphenyl-4-(6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaen-9-yl)aniline;9-naphthalen-2-yl-6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene;6-phenyl-9-(9-phenylcarbazol-3-yl)-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene?

The canonical SMILES for N,N-diphenyl-4-(6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaen-9-yl)aniline;9-naphthalen-2-yl-6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene;6-phenyl-9-(9-phenylcarbazol-3-yl)-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene is c1ccc(-n2cnc3c4c(ccc5c6ccccc6oc54)c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)cc1.c1ccc(-n2cnc3c4c(ccc5c6ccccc6oc54)c(-c4ccc5ccccc5c4)cc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4c(ncn4-c4ccccc4)c4c3ccc3c5ccccc5oc34)cc2)cc1.

What is the InChIKey of N,N-diphenyl-4-(6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaen-9-yl)aniline;9-naphthalen-2-yl-6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene;6-phenyl-9-(9-phenylcarbazol-3-yl)-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene?

The InChIKey is BLXBPSDDZCUYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O.C41H27N3O.C33H20N2O/c1-3-11-27(12-4-1)43-25-42-40-37(43)24-33(31-20-21-32-30-16-8-10-18-38(30)45-41(32)39(31)40)26-19-22-36-34(23-26)29-15-7-9-17-35(29)44(36)28-13-5-2-6-14-28;1-4-12-29(13-5-1)43-27-42-40-37(43)26-36(34-24-25-35-33-18-10-11-19-38(33)45-41(35)39(34)40)28-20-22-32(23-21-28)44(30-14-6-2-7-15-30)31-16-8-3-9-17-31;1-2-10-24(11-3-1)35-20-34-32-29(35)19-28(23-15-14-21-8-4-5-9-22(21)18-23)26-16-17-27-25-12-6-7-13-30(25)36-33(27)31(26)32/h1-25H;1-27H;1-20H.

What are the key properties of N,N-diphenyl-4-(6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaen-9-yl)aniline;9-naphthalen-2-yl-6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene;6-phenyl-9-(9-phenylcarbazol-3-yl)-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene?

N,N-diphenyl-4-(6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaen-9-yl)aniline;9-naphthalen-2-yl-6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene;6-phenyl-9-(9-phenylcarbazol-3-yl)-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene has a molecular weight of 1613.89 g/mol, XLogP of 30.96, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-4-(6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaen-9-yl)aniline;9-naphthalen-2-yl-6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene;6-phenyl-9-(9-phenylcarbazol-3-yl)-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene is sourced from PubChem (CID 157390097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).