14-[(3E,5Z,7Z,9E)-4-(2-carbazol-9-ylpropan-2-yl)-10-fluoro-6-(2-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)undeca-3,5,7,9-tetraen-3-yl]-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

C68H49F2N3O2 — CID 163859547

About 14-[(3E,5Z,7Z,9E)-4-(2-carbazol-9-ylpropan-2-yl)-10-fluoro-6-(2-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)undeca-3,5,7,9-tetraen-3-yl]-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-[(3E,5Z,7Z,9E)-4-(2-carbazol-9-ylpropan-2-yl)-10-fluoro-6-(2-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)undeca-3,5,7,9-tetraen-3-yl]-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 163859547) has the molecular formula C68H49F2N3O2 and a molecular weight of 978.16 g/mol. Its IUPAC name is 14-[(3E,5Z,7Z,9E)-4-(2-carbazol-9-ylpropan-2-yl)-10-fluoro-6-(2-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)undeca-3,5,7,9-tetraen-3-yl]-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-[(3E,5Z,7Z,9E)-4-(2-carbazol-9-ylpropan-2-yl)-10-fluoro-6-(2-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)undeca-3,5,7,9-tetraen-3-yl]-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: 163859547
• Molecular Formula: C68H49F2N3O2
• Molecular Weight: 978.16 g/mol
• Exact Mass: 977.38
• IUPAC Name: 14-[(3E,5Z,7Z,9E)-4-(2-carbazol-9-ylpropan-2-yl)-10-fluoro-6-(2-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)undeca-3,5,7,9-tetraen-3-yl]-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: CC/C(=C(C(=C(/C=C\C=C(/C)F)c1ccccc1F)\n1c2ccccc2c2c3c(ccc21)oc1ccccc13)/C(C)(C)n1c2ccccc2c2ccccc21)n1c2ccccc2c2c3c(ccc21)oc1ccccc13
• InChI: InChI=1S/C68H49F2N3O2/c1-5-51(71-52-31-14-9-25-46(52)62-56(71)37-39-60-64(62)48-27-11-18-35-58(48)74-60)66(68(3,4)73-54-33-16-7-23-43(54)44-24-8-17-34-55(44)73)67(45(29-20-21-41(2)69)42-22-6-13-30-50(42)70)72-53-32-15-10-26-47(53)63-57(72)38-40-61-65(63)49-28-12-19-36-59(49)75-61/h6-40H,5H2,1-4H3/b29-20-,41-21+,66-51-,67-45-
• InChIKey: PBGPUXIIUADBOK-YCHITGARSA-N
• XLogP: 19.50
• TPSA: 41.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	978.16
LogP ≤ 5	19.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 14-[(3E,5Z,7Z,9E)-4-(2-carbazol-9-ylpropan-2-yl)-10-fluoro-6-(2-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)undeca-3,5,7,9-tetraen-3-yl]-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-[(3E,5Z,7Z,9E)-4-(2-carbazol-9-ylpropan-2-yl)-10-fluoro-6-(2-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)undeca-3,5,7,9-tetraen-3-yl]-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 163859547) is 14-[(3E,5Z,7Z,9E)-4-(2-carbazol-9-ylpropan-2-yl)-10-fluoro-6-(2-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)undeca-3,5,7,9-tetraen-3-yl]-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-[(3E,5Z,7Z,9E)-4-(2-carbazol-9-ylpropan-2-yl)-10-fluoro-6-(2-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)undeca-3,5,7,9-tetraen-3-yl]-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-[(3E,5Z,7Z,9E)-4-(2-carbazol-9-ylpropan-2-yl)-10-fluoro-6-(2-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)undeca-3,5,7,9-tetraen-3-yl]-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(=C(C(=C(/C=C\C=C(/C)F)c1ccccc1F)\n1c2ccccc2c2c3c(ccc21)oc1ccccc13)/C(C)(C)n1c2ccccc2c2ccccc21)n1c2ccccc2c2c3c(ccc21)oc1ccccc13.

What is the InChIKey of 14-[(3E,5Z,7Z,9E)-4-(2-carbazol-9-ylpropan-2-yl)-10-fluoro-6-(2-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)undeca-3,5,7,9-tetraen-3-yl]-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 PBGPUXIIUADBOK-YCHITGARSA-N. The full InChI is InChI=1S/C68H49F2N3O2/c1-5-51(71-52-31-14-9-25-46(52)62-56(71)37-39-60-64(62)48-27-11-18-35-58(48)74-60)66(68(3,4)73-54-33-16-7-23-43(54)44-24-8-17-34-55(44)73)67(45(29-20-21-41(2)69)42-22-6-13-30-50(42)70)72-53-32-15-10-26-47(53)63-57(72)38-40-61-65(63)49-28-12-19-36-59(49)75-61/h6-40H,5H2,1-4H3/b29-20-,41-21+,66-51-,67-45-.

What are the key properties of 14-[(3E,5Z,7Z,9E)-4-(2-carbazol-9-ylpropan-2-yl)-10-fluoro-6-(2-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)undeca-3,5,7,9-tetraen-3-yl]-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-[(3E,5Z,7Z,9E)-4-(2-carbazol-9-ylpropan-2-yl)-10-fluoro-6-(2-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)undeca-3,5,7,9-tetraen-3-yl]-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 978.16 g/mol, XLogP of 19.50, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[(3E,5Z,7Z,9E)-4-(2-carbazol-9-ylpropan-2-yl)-10-fluoro-6-(2-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)undeca-3,5,7,9-tetraen-3-yl]-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 163859547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).