9-[4-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole

C82H50F6N6 — CID 142501839

IUPAC9-[4-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole
SMILESFC(F)(F)c1cccc(-c2cc(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(C(F)(F)F)cc2-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c1
InChIInChI=1S/C82H50F6N6/c83-81(84,85)64-23-13-22-59(40-64)69-45-80(94-77-43-57(62-30-38-73(91-49-62)53-18-9-3-10-19-53)26-34-67(77)68-35-27-58(44-78(68)94)63-31-39-74(92-50-63)54-20-11-4-12-21-54)70(82(86,87)88)46-79(69)93-75-41-55(60-28-36-71(89-47-60)51-14-5-1-6-15-51)24-32-65(75)66-33-25-56(42-76(66)93)61-29-37-72(90-48-61)52-16-7-2-8-17-52/h1-50H
InChIKeyCPEJBIGSQFGVGT-UHFFFAOYSA-N
MW1233.33 g/mol
LogP22.50
Rot. Bonds11

About 9-[4-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole

9-[4-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole (PubChem CID 142501839) has the molecular formula C82H50F6N6 and a molecular weight of 1233.33 g/mol. Its IUPAC name is 9-[4-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole.

Molecular Properties

Compound Name9-[4-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole
PubChem CID142501839
Molecular FormulaC82H50F6N6
Molecular Weight1233.33 g/mol
Exact Mass1232.40
IUPAC Name9-[4-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole
SMILESFC(F)(F)c1cccc(-c2cc(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(C(F)(F)F)cc2-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c1
InChIInChI=1S/C82H50F6N6/c83-81(84,85)64-23-13-22-59(40-64)69-45-80(94-77-43-57(62-30-38-73(91-49-62)53-18-9-3-10-19-53)26-34-67(77)68-35-27-58(44-78(68)94)63-31-39-74(92-50-63)54-20-11-4-12-21-54)70(82(86,87)88)46-79(69)93-75-41-55(60-28-36-71(89-47-60)51-14-5-1-6-15-51)24-32-65(75)66-33-25-56(42-76(66)93)61-29-37-72(90-48-61)52-16-7-2-8-17-52/h1-50H
InChIKeyCPEJBIGSQFGVGT-UHFFFAOYSA-N
XLogP22.50
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001233.33
LogP ≤ 522.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[4-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole with MolForge

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Related Compounds

5-(9-Pyrido[4,3-b]indol-5-ylnonyl)pyrido[4,3-b]indole
CID 122186421
1-Pyridin-3-yl-9-[6-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole
CID 71539945
1-Pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole
CID 71539896
9-Butyl-3-[[4-[(9-butylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]pyrido[3,4-b]indole
CID 127029326
9-[(4-Fluorophenyl)methyl]-3-[[4-[[9-[(4-fluorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]pyrido[3,4-b]indole
CID 127029328
9-(3-Phenylpropyl)-3-[[4-[[9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]pyrido[3,4-b]indole
CID 127029591
9-Methyl-2-(1-methyl-1H-indol-3-yl)-9H-carbazole
CID 371272
5,10-Dimethyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-6-yl]phenanthridin-5-ium chloride
CID 164615976
5,9-Dimethyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-6-yl]phenanthridin-5-ium chloride
CID 164624059
5-Fluoro-1-methyl-3-[[4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole
CID 171352477
12,13-dimethyl-7-[(E)-2-(1-methylindol-3-yl)vinyl]-8,17-diazoniahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3(8),4,6,12,17(26),18,20(25),21,23-undecaene;trifluoromethanesulfonate
CID 176457164
9-[6-[2,6-Difluoro-3-(4-methyl-2-pyridinyl)phenyl]hexyl]carbazole
CID 102525341

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole?
The IUPAC name of 9-[4-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole (CID 142501839) is 9-[4-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole.
What is the SMILES notation for 9-[4-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole?
The canonical SMILES for 9-[4-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole is FC(F)(F)c1cccc(-c2cc(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(C(F)(F)F)cc2-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c1.
What is the InChIKey of 9-[4-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole?
The InChIKey is CPEJBIGSQFGVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H50F6N6/c83-81(84,85)64-23-13-22-59(40-64)69-45-80(94-77-43-57(62-30-38-73(91-49-62)53-18-9-3-10-19-53)26-34-67(77)68-35-27-58(44-78(68)94)63-31-39-74(92-50-63)54-20-11-4-12-21-54)70(82(86,87)88)46-79(69)93-75-41-55(60-28-36-71(89-47-60)51-14-5-1-6-15-51)24-32-65(75)66-33-25-56(42-76(66)93)61-29-37-72(90-48-61)52-16-7-2-8-17-52/h1-50H.
What are the key properties of 9-[4-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole?
9-[4-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole has a molecular weight of 1233.33 g/mol, XLogP of 22.50, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole is sourced from PubChem (CID 142501839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).