14-[3-(2-carbazol-9-ylpropan-2-yl)-2-(3-methylphenyl)-5-(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-nonaen-14-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-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

C71H46F3N3O2 — CID 139552798

About 14-[3-(2-carbazol-9-ylpropan-2-yl)-2-(3-methylphenyl)-5-(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-nonaen-14-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-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-(2-carbazol-9-ylpropan-2-yl)-2-(3-methylphenyl)-5-(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-nonaen-14-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-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 139552798) has the molecular formula C71H46F3N3O2 and a molecular weight of 1030.16 g/mol. Its IUPAC name is 14-[3-(2-carbazol-9-ylpropan-2-yl)-2-(3-methylphenyl)-5-(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-nonaen-14-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-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-(2-carbazol-9-ylpropan-2-yl)-2-(3-methylphenyl)-5-(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-nonaen-14-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-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: 139552798
• Molecular Formula: C71H46F3N3O2
• Molecular Weight: 1030.16 g/mol
• Exact Mass: 1029.35
• IUPAC Name: 14-[3-(2-carbazol-9-ylpropan-2-yl)-2-(3-methylphenyl)-5-(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-nonaen-14-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-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: Cc1cccc(-c2c(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)cc(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)c(-c3cccc(C(F)(F)F)c3)c2C(C)(C)n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C71H46F3N3O2/c1-41-18-16-19-42(38-41)63-57(75-51-28-10-6-24-47(51)65-55(75)34-36-61-67(65)49-26-8-14-32-59(49)78-61)40-58(76-52-29-11-7-25-48(52)66-56(76)35-37-62-68(66)50-27-9-15-33-60(50)79-62)64(43-20-17-21-44(39-43)71(72,73)74)69(63)70(2,3)77-53-30-12-4-22-45(53)46-23-5-13-31-54(46)77/h4-40H,1-3H3
• InChIKey: CVWAKTDQVJSRRC-UHFFFAOYSA-N
• XLogP: 20.23
• TPSA: 41.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1030.16
LogP ≤ 5	20.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 14-[3-(2-carbazol-9-ylpropan-2-yl)-2-(3-methylphenyl)-5-(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-nonaen-14-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-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-(2-carbazol-9-ylpropan-2-yl)-2-(3-methylphenyl)-5-(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-nonaen-14-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-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 139552798) is 14-[3-(2-carbazol-9-ylpropan-2-yl)-2-(3-methylphenyl)-5-(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-nonaen-14-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-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-(2-carbazol-9-ylpropan-2-yl)-2-(3-methylphenyl)-5-(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-nonaen-14-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-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-(2-carbazol-9-ylpropan-2-yl)-2-(3-methylphenyl)-5-(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-nonaen-14-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-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 Cc1cccc(-c2c(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)cc(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)c(-c3cccc(C(F)(F)F)c3)c2C(C)(C)n2c3ccccc3c3ccccc32)c1.

What is the InChIKey of 14-[3-(2-carbazol-9-ylpropan-2-yl)-2-(3-methylphenyl)-5-(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-nonaen-14-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-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 CVWAKTDQVJSRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H46F3N3O2/c1-41-18-16-19-42(38-41)63-57(75-51-28-10-6-24-47(51)65-55(75)34-36-61-67(65)49-26-8-14-32-59(49)78-61)40-58(76-52-29-11-7-25-48(52)66-56(76)35-37-62-68(66)50-27-9-15-33-60(50)79-62)64(43-20-17-21-44(39-43)71(72,73)74)69(63)70(2,3)77-53-30-12-4-22-45(53)46-23-5-13-31-54(46)77/h4-40H,1-3H3.

What are the key properties of 14-[3-(2-carbazol-9-ylpropan-2-yl)-2-(3-methylphenyl)-5-(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-nonaen-14-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-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-(2-carbazol-9-ylpropan-2-yl)-2-(3-methylphenyl)-5-(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-nonaen-14-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-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 1030.16 g/mol, XLogP of 20.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[3-(2-carbazol-9-ylpropan-2-yl)-2-(3-methylphenyl)-5-(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-nonaen-14-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-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 139552798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).