9-phenyl-20-[2,3,6-tri(carbazol-9-yl)-4,5-bis[3-(trifluoromethyl)phenyl]phenyl]-4,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene

C79H46F6N6 — CID 167107978

IUPAC9-phenyl-20-[2,3,6-tri(carbazol-9-yl)-4,5-bis[3-(trifluoromethyl)phenyl]phenyl]-4,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
SMILESFC(F)(F)c1cccc(-c2c(-c3cccc(C(F)(F)F)c3)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccc5c(c6ncccc6n5-c5ccccc5)c43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C79H46F6N6/c80-78(81,82)49-23-18-21-47(45-49)69-70(48-22-19-24-50(46-48)79(83,84)85)75(89-62-36-13-6-29-54(62)55-30-7-14-37-63(55)89)77(91-66-40-17-10-33-58(66)59-42-43-67-71(73(59)91)72-68(41-20-44-86-72)87(67)51-25-2-1-3-26-51)76(90-64-38-15-8-31-56(64)57-32-9-16-39-65(57)90)74(69)88-60-34-11-4-27-52(60)53-28-5-12-35-61(53)88/h1-46H
InChIKeyBCEIGGCQZWHGDE-UHFFFAOYSA-N
MW1193.27 g/mol
LogP21.94
Rot. Bonds7

About 9-phenyl-20-[2,3,6-tri(carbazol-9-yl)-4,5-bis[3-(trifluoromethyl)phenyl]phenyl]-4,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene

9-phenyl-20-[2,3,6-tri(carbazol-9-yl)-4,5-bis[3-(trifluoromethyl)phenyl]phenyl]-4,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene (PubChem CID 167107978) has the molecular formula C79H46F6N6 and a molecular weight of 1193.27 g/mol. Its IUPAC name is 9-phenyl-20-[2,3,6-tri(carbazol-9-yl)-4,5-bis[3-(trifluoromethyl)phenyl]phenyl]-4,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene.

Molecular Properties

Compound Name9-phenyl-20-[2,3,6-tri(carbazol-9-yl)-4,5-bis[3-(trifluoromethyl)phenyl]phenyl]-4,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
PubChem CID167107978
Molecular FormulaC79H46F6N6
Molecular Weight1193.27 g/mol
Exact Mass1192.37
IUPAC Name9-phenyl-20-[2,3,6-tri(carbazol-9-yl)-4,5-bis[3-(trifluoromethyl)phenyl]phenyl]-4,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
SMILESFC(F)(F)c1cccc(-c2c(-c3cccc(C(F)(F)F)c3)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccc5c(c6ncccc6n5-c5ccccc5)c43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C79H46F6N6/c80-78(81,82)49-23-18-21-47(45-49)69-70(48-22-19-24-50(46-48)79(83,84)85)75(89-62-36-13-6-29-54(62)55-30-7-14-37-63(55)89)77(91-66-40-17-10-33-58(66)59-42-43-67-71(73(59)91)72-68(41-20-44-86-72)87(67)51-25-2-1-3-26-51)76(90-64-38-15-8-31-56(64)57-32-9-16-39-65(57)90)74(69)88-60-34-11-4-27-52(60)53-28-5-12-35-61(53)88/h1-46H
InChIKeyBCEIGGCQZWHGDE-UHFFFAOYSA-N
XLogP21.94
TPSA37.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001193.27
LogP ≤ 521.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-phenyl-20-[2,3,6-tri(carbazol-9-yl)-4,5-bis[3-(trifluoromethyl)phenyl]phenyl]-4,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-20-[2,3,6-tri(carbazol-9-yl)-4,5-bis[3-(trifluoromethyl)phenyl]phenyl]-4,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene?
The IUPAC name of 9-phenyl-20-[2,3,6-tri(carbazol-9-yl)-4,5-bis[3-(trifluoromethyl)phenyl]phenyl]-4,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene (CID 167107978) is 9-phenyl-20-[2,3,6-tri(carbazol-9-yl)-4,5-bis[3-(trifluoromethyl)phenyl]phenyl]-4,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene.
What is the SMILES notation for 9-phenyl-20-[2,3,6-tri(carbazol-9-yl)-4,5-bis[3-(trifluoromethyl)phenyl]phenyl]-4,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene?
The canonical SMILES for 9-phenyl-20-[2,3,6-tri(carbazol-9-yl)-4,5-bis[3-(trifluoromethyl)phenyl]phenyl]-4,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene is FC(F)(F)c1cccc(-c2c(-c3cccc(C(F)(F)F)c3)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccc5c(c6ncccc6n5-c5ccccc5)c43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-phenyl-20-[2,3,6-tri(carbazol-9-yl)-4,5-bis[3-(trifluoromethyl)phenyl]phenyl]-4,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene?
The InChIKey is BCEIGGCQZWHGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H46F6N6/c80-78(81,82)49-23-18-21-47(45-49)69-70(48-22-19-24-50(46-48)79(83,84)85)75(89-62-36-13-6-29-54(62)55-30-7-14-37-63(55)89)77(91-66-40-17-10-33-58(66)59-42-43-67-71(73(59)91)72-68(41-20-44-86-72)87(67)51-25-2-1-3-26-51)76(90-64-38-15-8-31-56(64)57-32-9-16-39-65(57)90)74(69)88-60-34-11-4-27-52(60)53-28-5-12-35-61(53)88/h1-46H.
What are the key properties of 9-phenyl-20-[2,3,6-tri(carbazol-9-yl)-4,5-bis[3-(trifluoromethyl)phenyl]phenyl]-4,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene?
9-phenyl-20-[2,3,6-tri(carbazol-9-yl)-4,5-bis[3-(trifluoromethyl)phenyl]phenyl]-4,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene has a molecular weight of 1193.27 g/mol, XLogP of 21.94, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-20-[2,3,6-tri(carbazol-9-yl)-4,5-bis[3-(trifluoromethyl)phenyl]phenyl]-4,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene is sourced from PubChem (CID 167107978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).