14-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(4-fluorophenyl)-3-(9-thia-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)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C69H43F2N3S2 — CID 139552794

About 14-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(4-fluorophenyl)-3-(9-thia-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)phenyl]-9-thia-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-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(4-fluorophenyl)-3-(9-thia-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)phenyl]-9-thia-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 139552794) has the molecular formula C69H43F2N3S2 and a molecular weight of 1016.25 g/mol. Its IUPAC name is 14-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(4-fluorophenyl)-3-(9-thia-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)phenyl]-9-thia-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-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(4-fluorophenyl)-3-(9-thia-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)phenyl]-9-thia-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: 139552794
• Molecular Formula: C69H43F2N3S2
• Molecular Weight: 1016.25 g/mol
• Exact Mass: 1015.29
• IUPAC Name: 14-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(4-fluorophenyl)-3-(9-thia-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)phenyl]-9-thia-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: CC(C)(c1c(-n2c3ccccc3c3c4c(ccc32)sc2ccccc24)c(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1-n1c2ccccc2c2c3c(ccc21)sc1ccccc13)n1c2ccccc2c2ccccc21
• InChI: InChI=1S/C69H43F2N3S2/c1-69(2,74-54-23-11-3-15-44(54)45-16-4-12-24-55(45)74)66-67(72-52-21-9-5-17-46(52)62-56(72)35-37-60-64(62)48-19-7-13-25-58(48)75-60)50(40-27-31-42(70)32-28-40)39-51(41-29-33-43(71)34-30-41)68(66)73-53-22-10-6-18-47(53)63-57(73)36-38-61-65(63)49-20-8-14-26-59(49)76-61/h3-39H,1-2H3
• InChIKey: IASCTMVCWFULPT-UHFFFAOYSA-N
• XLogP: 20.12
• TPSA: 14.79 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1016.25
LogP ≤ 5	20.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 14-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(4-fluorophenyl)-3-(9-thia-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)phenyl]-9-thia-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-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(4-fluorophenyl)-3-(9-thia-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)phenyl]-9-thia-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 139552794) is 14-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(4-fluorophenyl)-3-(9-thia-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)phenyl]-9-thia-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-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(4-fluorophenyl)-3-(9-thia-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)phenyl]-9-thia-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-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(4-fluorophenyl)-3-(9-thia-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)phenyl]-9-thia-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 CC(C)(c1c(-n2c3ccccc3c3c4c(ccc32)sc2ccccc24)c(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1-n1c2ccccc2c2c3c(ccc21)sc1ccccc13)n1c2ccccc2c2ccccc21.

What is the InChIKey of 14-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(4-fluorophenyl)-3-(9-thia-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)phenyl]-9-thia-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 IASCTMVCWFULPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43F2N3S2/c1-69(2,74-54-23-11-3-15-44(54)45-16-4-12-24-55(45)74)66-67(72-52-21-9-5-17-46(52)62-56(72)35-37-60-64(62)48-19-7-13-25-58(48)75-60)50(40-27-31-42(70)32-28-40)39-51(41-29-33-43(71)34-30-41)68(66)73-53-22-10-6-18-47(53)63-57(73)36-38-61-65(63)49-20-8-14-26-59(49)76-61/h3-39H,1-2H3.

What are the key properties of 14-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(4-fluorophenyl)-3-(9-thia-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)phenyl]-9-thia-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-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(4-fluorophenyl)-3-(9-thia-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)phenyl]-9-thia-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 1016.25 g/mol, XLogP of 20.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(4-fluorophenyl)-3-(9-thia-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)phenyl]-9-thia-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 139552794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).