5-carbazol-9-yl-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

C64H37F3N6O — CID 155160170

IUPAC5-carbazol-9-yl-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
SMILESFC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc32)c1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2c3c4ccccc4n(-c4ccccc4)c3ccc21
InChIInChI=1S/C64H37F3N6O/c65-64(66,67)48-37-47(63-69-61(38-18-4-1-5-19-38)68-62(70-63)39-20-6-2-7-21-39)56-45-27-13-17-31-55(45)74-60(56)59(48)73-52-33-32-41(72-49-28-14-10-24-42(49)43-25-11-15-29-50(43)72)36-46(52)58-54(73)35-34-53-57(58)44-26-12-16-30-51(44)71(53)40-22-8-3-9-23-40/h1-37H
InChIKeyMOESLFZKUAVVSQ-UHFFFAOYSA-N
MW963.04 g/mol
LogP17.08
Rot. Bonds6

About 5-carbazol-9-yl-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

5-carbazol-9-yl-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (PubChem CID 155160170) has the molecular formula C64H37F3N6O and a molecular weight of 963.04 g/mol. Its IUPAC name is 5-carbazol-9-yl-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

Molecular Properties

Compound Name5-carbazol-9-yl-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
PubChem CID155160170
Molecular FormulaC64H37F3N6O
Molecular Weight963.04 g/mol
Exact Mass962.30
IUPAC Name5-carbazol-9-yl-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
SMILESFC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc32)c1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2c3c4ccccc4n(-c4ccccc4)c3ccc21
InChIInChI=1S/C64H37F3N6O/c65-64(66,67)48-37-47(63-69-61(38-18-4-1-5-19-38)68-62(70-63)39-20-6-2-7-21-39)56-45-27-13-17-31-55(45)74-60(56)59(48)73-52-33-32-41(72-49-28-14-10-24-42(49)43-25-11-15-29-50(43)72)36-46(52)58-54(73)35-34-53-57(58)44-26-12-16-30-51(44)71(53)40-22-8-3-9-23-40/h1-37H
InChIKeyMOESLFZKUAVVSQ-UHFFFAOYSA-N
XLogP17.08
TPSA66.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.04
LogP ≤ 517.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-carbazol-9-yl-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The IUPAC name of 5-carbazol-9-yl-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (CID 155160170) is 5-carbazol-9-yl-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.
What is the SMILES notation for 5-carbazol-9-yl-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The canonical SMILES for 5-carbazol-9-yl-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is FC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc32)c1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2c3c4ccccc4n(-c4ccccc4)c3ccc21.
What is the InChIKey of 5-carbazol-9-yl-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The InChIKey is MOESLFZKUAVVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H37F3N6O/c65-64(66,67)48-37-47(63-69-61(38-18-4-1-5-19-38)68-62(70-63)39-20-6-2-7-21-39)56-45-27-13-17-31-55(45)74-60(56)59(48)73-52-33-32-41(72-49-28-14-10-24-42(49)43-25-11-15-29-50(43)72)36-46(52)58-54(73)35-34-53-57(58)44-26-12-16-30-51(44)71(53)40-22-8-3-9-23-40/h1-37H.
What are the key properties of 5-carbazol-9-yl-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
5-carbazol-9-yl-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene has a molecular weight of 963.04 g/mol, XLogP of 17.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is sourced from PubChem (CID 155160170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).