14-[3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)-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)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

C69H43F2N3O2 — CID 139552773

IUPAC14-[3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)-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)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
SMILESCC(C)(c1c(-c2ccc(F)cc2)c(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)cc(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)c1-c1ccc(F)cc1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C69H43F2N3O2/c1-69(2,74-52-23-11-3-15-44(52)45-16-4-12-24-53(45)74)68-62(40-27-31-42(70)32-28-40)56(72-50-21-9-5-17-46(50)64-54(72)35-37-60-66(64)48-19-7-13-25-58(48)75-60)39-57(63(68)41-29-33-43(71)34-30-41)73-51-22-10-6-18-47(51)65-55(73)36-38-61-67(65)49-20-8-14-26-59(49)76-61/h3-39H,1-2H3
InChIKeyICONGVKEHVUZHU-UHFFFAOYSA-N
MW984.12 g/mol
LogP19.18
Rot. Bonds6

About 14-[3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)-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)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)-2,4-bis(4-fluorophenyl)-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)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 139552773) has the molecular formula C69H43F2N3O2 and a molecular weight of 984.12 g/mol. Its IUPAC name is 14-[3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)-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)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 Name14-[3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)-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)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 CID139552773
Molecular FormulaC69H43F2N3O2
Molecular Weight984.12 g/mol
Exact Mass983.33
IUPAC Name14-[3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)-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)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
SMILESCC(C)(c1c(-c2ccc(F)cc2)c(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)cc(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)c1-c1ccc(F)cc1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C69H43F2N3O2/c1-69(2,74-52-23-11-3-15-44(52)45-16-4-12-24-53(45)74)68-62(40-27-31-42(70)32-28-40)56(72-50-21-9-5-17-46(50)64-54(72)35-37-60-66(64)48-19-7-13-25-58(48)75-60)39-57(63(68)41-29-33-43(71)34-30-41)73-51-22-10-6-18-47(51)65-55(73)36-38-61-67(65)49-20-8-14-26-59(49)76-61/h3-39H,1-2H3
InChIKeyICONGVKEHVUZHU-UHFFFAOYSA-N
XLogP19.18
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500984.12
LogP ≤ 519.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-[3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)-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)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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)-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)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)-2,4-bis(4-fluorophenyl)-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)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 139552773) is 14-[3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)-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)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)-2,4-bis(4-fluorophenyl)-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)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)-2,4-bis(4-fluorophenyl)-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)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 CC(C)(c1c(-c2ccc(F)cc2)c(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)cc(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)c1-c1ccc(F)cc1)n1c2ccccc2c2ccccc21.
What is the InChIKey of 14-[3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)-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)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 ICONGVKEHVUZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43F2N3O2/c1-69(2,74-52-23-11-3-15-44(52)45-16-4-12-24-53(45)74)68-62(40-27-31-42(70)32-28-40)56(72-50-21-9-5-17-46(50)64-54(72)35-37-60-66(64)48-19-7-13-25-58(48)75-60)39-57(63(68)41-29-33-43(71)34-30-41)73-51-22-10-6-18-47(51)65-55(73)36-38-61-67(65)49-20-8-14-26-59(49)76-61/h3-39H,1-2H3.
What are the key properties of 14-[3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)-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)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)-2,4-bis(4-fluorophenyl)-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)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 984.12 g/mol, XLogP of 19.18, 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)-2,4-bis(4-fluorophenyl)-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)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 139552773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).