14-[(2R)-2-[(1R)-2-methyl-4-(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)-3,5-bis[3-(trifluoromethyl)phenyl]cyclopenta-2,4-dien-1-yl]propyl]-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

C59H38F6N2O2 — CID 139553715

IUPAC14-[(2R)-2-[(1R)-2-methyl-4-(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)-3,5-bis[3-(trifluoromethyl)phenyl]cyclopenta-2,4-dien-1-yl]propyl]-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
SMILESCC1=C(c2cccc(C(F)(F)F)c2)C(n2c3ccccc3c3c4c(ccc32)oc2ccccc24)=C(c2cccc(C(F)(F)F)c2)[C@@H]1[C@@H](C)Cn1c2ccccc2c2c3c(ccc21)oc1ccccc13
InChIInChI=1S/C59H38F6N2O2/c1-32(31-66-42-21-7-3-17-38(42)53-44(66)25-27-48-55(53)40-19-5-9-23-46(40)68-48)50-33(2)51(34-13-11-15-36(29-34)58(60,61)62)57(52(50)35-14-12-16-37(30-35)59(63,64)65)67-43-22-8-4-18-39(43)54-45(67)26-28-49-56(54)41-20-6-10-24-47(41)69-49/h3-30,32,50H,31H2,1-2H3/t32-,50+/m0/s1
InChIKeyRRYUBRWFSAFHPG-PWLRGSKHSA-N
MW920.95 g/mol
LogP17.55
Rot. Bonds6

About 14-[(2R)-2-[(1R)-2-methyl-4-(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)-3,5-bis[3-(trifluoromethyl)phenyl]cyclopenta-2,4-dien-1-yl]propyl]-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-[(2R)-2-[(1R)-2-methyl-4-(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)-3,5-bis[3-(trifluoromethyl)phenyl]cyclopenta-2,4-dien-1-yl]propyl]-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 139553715) has the molecular formula C59H38F6N2O2 and a molecular weight of 920.95 g/mol. Its IUPAC name is 14-[(2R)-2-[(1R)-2-methyl-4-(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)-3,5-bis[3-(trifluoromethyl)phenyl]cyclopenta-2,4-dien-1-yl]propyl]-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-[(2R)-2-[(1R)-2-methyl-4-(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)-3,5-bis[3-(trifluoromethyl)phenyl]cyclopenta-2,4-dien-1-yl]propyl]-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 CID139553715
Molecular FormulaC59H38F6N2O2
Molecular Weight920.95 g/mol
Exact Mass920.28
IUPAC Name14-[(2R)-2-[(1R)-2-methyl-4-(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)-3,5-bis[3-(trifluoromethyl)phenyl]cyclopenta-2,4-dien-1-yl]propyl]-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
SMILESCC1=C(c2cccc(C(F)(F)F)c2)C(n2c3ccccc3c3c4c(ccc32)oc2ccccc24)=C(c2cccc(C(F)(F)F)c2)[C@@H]1[C@@H](C)Cn1c2ccccc2c2c3c(ccc21)oc1ccccc13
InChIInChI=1S/C59H38F6N2O2/c1-32(31-66-42-21-7-3-17-38(42)53-44(66)25-27-48-55(53)40-19-5-9-23-46(40)68-48)50-33(2)51(34-13-11-15-36(29-34)58(60,61)62)57(52(50)35-14-12-16-37(30-35)59(63,64)65)67-43-22-8-4-18-39(43)54-45(67)26-28-49-56(54)41-20-6-10-24-47(41)69-49/h3-30,32,50H,31H2,1-2H3/t32-,50+/m0/s1
InChIKeyRRYUBRWFSAFHPG-PWLRGSKHSA-N
XLogP17.55
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.95
LogP ≤ 517.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-[(2R)-2-[(1R)-2-methyl-4-(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)-3,5-bis[3-(trifluoromethyl)phenyl]cyclopenta-2,4-dien-1-yl]propyl]-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 14-[(2R)-2-[(1R)-2-methyl-4-(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)-3,5-bis[3-(trifluoromethyl)phenyl]cyclopenta-2,4-dien-1-yl]propyl]-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-[(2R)-2-[(1R)-2-methyl-4-(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)-3,5-bis[3-(trifluoromethyl)phenyl]cyclopenta-2,4-dien-1-yl]propyl]-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 139553715) is 14-[(2R)-2-[(1R)-2-methyl-4-(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)-3,5-bis[3-(trifluoromethyl)phenyl]cyclopenta-2,4-dien-1-yl]propyl]-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-[(2R)-2-[(1R)-2-methyl-4-(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)-3,5-bis[3-(trifluoromethyl)phenyl]cyclopenta-2,4-dien-1-yl]propyl]-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-[(2R)-2-[(1R)-2-methyl-4-(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)-3,5-bis[3-(trifluoromethyl)phenyl]cyclopenta-2,4-dien-1-yl]propyl]-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(c2cccc(C(F)(F)F)c2)C(n2c3ccccc3c3c4c(ccc32)oc2ccccc24)=C(c2cccc(C(F)(F)F)c2)[C@@H]1[C@@H](C)Cn1c2ccccc2c2c3c(ccc21)oc1ccccc13.
What is the InChIKey of 14-[(2R)-2-[(1R)-2-methyl-4-(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)-3,5-bis[3-(trifluoromethyl)phenyl]cyclopenta-2,4-dien-1-yl]propyl]-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 RRYUBRWFSAFHPG-PWLRGSKHSA-N. The full InChI is InChI=1S/C59H38F6N2O2/c1-32(31-66-42-21-7-3-17-38(42)53-44(66)25-27-48-55(53)40-19-5-9-23-46(40)68-48)50-33(2)51(34-13-11-15-36(29-34)58(60,61)62)57(52(50)35-14-12-16-37(30-35)59(63,64)65)67-43-22-8-4-18-39(43)54-45(67)26-28-49-56(54)41-20-6-10-24-47(41)69-49/h3-30,32,50H,31H2,1-2H3/t32-,50+/m0/s1.
What are the key properties of 14-[(2R)-2-[(1R)-2-methyl-4-(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)-3,5-bis[3-(trifluoromethyl)phenyl]cyclopenta-2,4-dien-1-yl]propyl]-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-[(2R)-2-[(1R)-2-methyl-4-(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)-3,5-bis[3-(trifluoromethyl)phenyl]cyclopenta-2,4-dien-1-yl]propyl]-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 920.95 g/mol, XLogP of 17.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[(2R)-2-[(1R)-2-methyl-4-(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)-3,5-bis[3-(trifluoromethyl)phenyl]cyclopenta-2,4-dien-1-yl]propyl]-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 139553715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).