14-[2-(2-carbazol-9-ylpropan-2-yl)-3-(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)-4,6-bis[2-(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

C71H43F6N3O2 — CID 139552864

IUPAC14-[2-(2-carbazol-9-ylpropan-2-yl)-3-(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)-4,6-bis[2-(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
SMILESCC(C)(c1c(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)c(-c2ccccc2C(F)(F)F)cc(-c2ccccc2C(F)(F)F)c1-n1c2ccccc2c2c3c(ccc21)oc1ccccc13)n1c2ccccc2c2ccccc21
InChIInChI=1S/C71H43F6N3O2/c1-69(2,80-54-31-15-5-21-42(54)43-22-6-16-32-55(43)80)66-67(78-52-29-13-7-23-44(52)62-56(78)35-37-60-64(62)46-25-9-17-33-58(46)81-60)48(40-19-3-11-27-50(40)70(72,73)74)39-49(41-20-4-12-28-51(41)71(75,76)77)68(66)79-53-30-14-8-24-45(53)63-57(79)36-38-61-65(63)47-26-10-18-34-59(47)82-61/h3-39H,1-2H3
InChIKeyWCVXVOBFQZFGBU-UHFFFAOYSA-N
MW1084.13 g/mol
LogP20.94
Rot. Bonds6

About 14-[2-(2-carbazol-9-ylpropan-2-yl)-3-(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)-4,6-bis[2-(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-[2-(2-carbazol-9-ylpropan-2-yl)-3-(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)-4,6-bis[2-(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 139552864) has the molecular formula C71H43F6N3O2 and a molecular weight of 1084.13 g/mol. Its IUPAC name is 14-[2-(2-carbazol-9-ylpropan-2-yl)-3-(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)-4,6-bis[2-(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 Name14-[2-(2-carbazol-9-ylpropan-2-yl)-3-(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)-4,6-bis[2-(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 CID139552864
Molecular FormulaC71H43F6N3O2
Molecular Weight1084.13 g/mol
Exact Mass1083.33
IUPAC Name14-[2-(2-carbazol-9-ylpropan-2-yl)-3-(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)-4,6-bis[2-(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
SMILESCC(C)(c1c(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)c(-c2ccccc2C(F)(F)F)cc(-c2ccccc2C(F)(F)F)c1-n1c2ccccc2c2c3c(ccc21)oc1ccccc13)n1c2ccccc2c2ccccc21
InChIInChI=1S/C71H43F6N3O2/c1-69(2,80-54-31-15-5-21-42(54)43-22-6-16-32-55(43)80)66-67(78-52-29-13-7-23-44(52)62-56(78)35-37-60-64(62)46-25-9-17-33-58(46)81-60)48(40-19-3-11-27-50(40)70(72,73)74)39-49(41-20-4-12-28-51(41)71(75,76)77)68(66)79-53-30-14-8-24-45(53)63-57(79)36-38-61-65(63)47-26-10-18-34-59(47)82-61/h3-39H,1-2H3
InChIKeyWCVXVOBFQZFGBU-UHFFFAOYSA-N
XLogP20.94
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001084.13
LogP ≤ 520.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-[2-(2-carbazol-9-ylpropan-2-yl)-3-(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)-4,6-bis[2-(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[2-(2-carbazol-9-ylpropan-2-yl)-3-(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)-4,6-bis[2-(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-[2-(2-carbazol-9-ylpropan-2-yl)-3-(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)-4,6-bis[2-(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 139552864) is 14-[2-(2-carbazol-9-ylpropan-2-yl)-3-(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)-4,6-bis[2-(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-[2-(2-carbazol-9-ylpropan-2-yl)-3-(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)-4,6-bis[2-(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-[2-(2-carbazol-9-ylpropan-2-yl)-3-(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)-4,6-bis[2-(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 CC(C)(c1c(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)c(-c2ccccc2C(F)(F)F)cc(-c2ccccc2C(F)(F)F)c1-n1c2ccccc2c2c3c(ccc21)oc1ccccc13)n1c2ccccc2c2ccccc21.
What is the InChIKey of 14-[2-(2-carbazol-9-ylpropan-2-yl)-3-(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)-4,6-bis[2-(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 WCVXVOBFQZFGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H43F6N3O2/c1-69(2,80-54-31-15-5-21-42(54)43-22-6-16-32-55(43)80)66-67(78-52-29-13-7-23-44(52)62-56(78)35-37-60-64(62)46-25-9-17-33-58(46)81-60)48(40-19-3-11-27-50(40)70(72,73)74)39-49(41-20-4-12-28-51(41)71(75,76)77)68(66)79-53-30-14-8-24-45(53)63-57(79)36-38-61-65(63)47-26-10-18-34-59(47)82-61/h3-39H,1-2H3.
What are the key properties of 14-[2-(2-carbazol-9-ylpropan-2-yl)-3-(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)-4,6-bis[2-(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-[2-(2-carbazol-9-ylpropan-2-yl)-3-(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)-4,6-bis[2-(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 1084.13 g/mol, XLogP of 20.94, 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)-3-(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)-4,6-bis[2-(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 139552864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).