14-[3-(3-carbazol-9-ylphenyl)-5-phenylphenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-naphthalen-2-yl-11-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C136H87N7O3 — CID 159047799

About 14-[3-(3-carbazol-9-ylphenyl)-5-phenylphenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-naphthalen-2-yl-11-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

14-[3-(3-carbazol-9-ylphenyl)-5-phenylphenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-naphthalen-2-yl-11-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 159047799) has the molecular formula C136H87N7O3 and a molecular weight of 1867.24 g/mol. Its IUPAC name is 14-[3-(3-carbazol-9-ylphenyl)-5-phenylphenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-naphthalen-2-yl-11-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 14-[3-(3-carbazol-9-ylphenyl)-5-phenylphenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-naphthalen-2-yl-11-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 159047799
• Molecular Formula: C136H87N7O3
• Molecular Weight: 1867.24 g/mol
• Exact Mass: 1865.69
• IUPAC Name: 14-[3-(3-carbazol-9-ylphenyl)-5-phenylphenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-naphthalen-2-yl-11-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: CC1(C)c2ccccc2-c2c(-c3ccccc3)nc(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)nc21.c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4cc5c(c6ccccc6n5-c5ccc6ccccc6c5)c5c4oc4ccccc45)cc(-c4ccccc4)n3)cc2)cc1
• InChI: InChI=1S/C51H32N2O.C48H30N2O.C37H25N3O/c1-3-13-33(14-4-1)35-23-25-37(26-24-35)45-31-39(30-44(52-45)36-16-5-2-6-17-36)43-32-47-49(50-42-20-10-12-22-48(42)54-51(43)50)41-19-9-11-21-46(41)53(47)40-28-27-34-15-7-8-18-38(34)29-40;1-2-13-31(14-3-1)33-27-34(32-15-12-16-35(28-32)49-41-21-8-4-17-37(41)38-18-5-9-22-42(38)49)30-36(29-33)50-43-23-10-6-19-39(43)47-44(50)25-26-46-48(47)40-20-7-11-24-45(40)51-46;1-37(2)26-17-9-6-14-23(26)33-34(22-12-4-3-5-13-22)38-36(39-35(33)37)40-27-18-10-7-15-24(27)31-28(40)20-21-30-32(31)25-16-8-11-19-29(25)41-30/h1-32H;1-30H;3-21H,1-2H3
• InChIKey: JWWJMDSLLHDSLX-UHFFFAOYSA-N
• XLogP: 36.46
• TPSA: 97.81 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1867.24
LogP ≤ 5	36.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 14-[3-(3-carbazol-9-ylphenyl)-5-phenylphenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-naphthalen-2-yl-11-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The IUPAC name of 14-[3-(3-carbazol-9-ylphenyl)-5-phenylphenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-naphthalen-2-yl-11-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 159047799) is 14-[3-(3-carbazol-9-ylphenyl)-5-phenylphenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-naphthalen-2-yl-11-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

What is the SMILES notation for 14-[3-(3-carbazol-9-ylphenyl)-5-phenylphenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-naphthalen-2-yl-11-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The canonical SMILES for 14-[3-(3-carbazol-9-ylphenyl)-5-phenylphenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-naphthalen-2-yl-11-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is CC1(C)c2ccccc2-c2c(-c3ccccc3)nc(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)nc21.c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4cc5c(c6ccccc6n5-c5ccc6ccccc6c5)c5c4oc4ccccc45)cc(-c4ccccc4)n3)cc2)cc1.

What is the InChIKey of 14-[3-(3-carbazol-9-ylphenyl)-5-phenylphenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-naphthalen-2-yl-11-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The InChIKey is JWWJMDSLLHDSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O.C48H30N2O.C37H25N3O/c1-3-13-33(14-4-1)35-23-25-37(26-24-35)45-31-39(30-44(52-45)36-16-5-2-6-17-36)43-32-47-49(50-42-20-10-12-22-48(42)54-51(43)50)41-19-9-11-21-46(41)53(47)40-28-27-34-15-7-8-18-38(34)29-40;1-2-13-31(14-3-1)33-27-34(32-15-12-16-35(28-32)49-41-21-8-4-17-37(41)38-18-5-9-22-42(38)49)30-36(29-33)50-43-23-10-6-19-39(43)47-44(50)25-26-46-48(47)40-20-7-11-24-45(40)51-46;1-37(2)26-17-9-6-14-23(26)33-34(22-12-4-3-5-13-22)38-36(39-35(33)37)40-27-18-10-7-15-24(27)31-28(40)20-21-30-32(31)25-16-8-11-19-29(25)41-30/h1-32H;1-30H;3-21H,1-2H3.

What are the key properties of 14-[3-(3-carbazol-9-ylphenyl)-5-phenylphenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-naphthalen-2-yl-11-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

14-[3-(3-carbazol-9-ylphenyl)-5-phenylphenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-naphthalen-2-yl-11-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 1867.24 g/mol, XLogP of 36.46, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[3-(3-carbazol-9-ylphenyl)-5-phenylphenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-naphthalen-2-yl-11-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 159047799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).