3-carbazol-9-yl-9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-5-(trifluoromethyl)phenyl]carbazole

C60H36F3N5 — CID 147762119

IUPAC3-carbazol-9-yl-9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-5-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1ccc(-c2ccncc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C60H36F3N5/c61-60(62,63)37-25-28-46(58(33-37)67-54-23-11-5-17-44(54)48-34-38(26-29-56(48)67)65-50-19-7-1-13-40(50)41-14-2-8-20-51(41)65)47-31-32-64-36-59(47)68-55-24-12-6-18-45(55)49-35-39(27-30-57(49)68)66-52-21-9-3-15-42(52)43-16-4-10-22-53(43)66/h1-36H
InChIKeyHEGXMRZHHDRSKH-UHFFFAOYSA-N
MW883.98 g/mol
LogP16.16
Rot. Bonds5

About 3-carbazol-9-yl-9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-5-(trifluoromethyl)phenyl]carbazole

3-carbazol-9-yl-9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-5-(trifluoromethyl)phenyl]carbazole (PubChem CID 147762119) has the molecular formula C60H36F3N5 and a molecular weight of 883.98 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-5-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-5-(trifluoromethyl)phenyl]carbazole
PubChem CID147762119
Molecular FormulaC60H36F3N5
Molecular Weight883.98 g/mol
Exact Mass883.29
IUPAC Name3-carbazol-9-yl-9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-5-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1ccc(-c2ccncc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C60H36F3N5/c61-60(62,63)37-25-28-46(58(33-37)67-54-23-11-5-17-44(54)48-34-38(26-29-56(48)67)65-50-19-7-1-13-40(50)41-14-2-8-20-51(41)65)47-31-32-64-36-59(47)68-55-24-12-6-18-45(55)49-35-39(27-30-57(49)68)66-52-21-9-3-15-42(52)43-16-4-10-22-53(43)66/h1-36H
InChIKeyHEGXMRZHHDRSKH-UHFFFAOYSA-N
XLogP16.16
TPSA32.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.98
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-9-[9-(2-methylpyrido[3,4-b]indol-2-ium-9-yl)nonyl]pyrido[3,4-b]indol-2-ium diiodide
CID 46223338
9-[9-(beta-Carboline-9-yl)nonyl]-beta-carboline
CID 46223113
9-[5-(beta-Carboline-9-yl)pentyl]-beta-carboline
CID 46223112
2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]-beta-carboline-2-ium diiodide
CID 46223339
1,4-Bis(di(1h-indol-3-yl)methyl)benzene
CID 15637613
2-Methyl-9-[12-(2-methylpyrido[3,4-b]indol-2-ium-9-yl)dodecyl]pyrido[3,4-b]indol-2-ium diiodide
CID 46223340
1-Methyl-9-[10-(1-methylpyrido[3,4-b]indol-9-yl)decyl]pyrido[3,4-b]indole
CID 71539326
1-Propan-2-yl-9-[10-(1-propan-2-ylpyrido[3,4-b]indol-9-yl)decyl]pyrido[3,4-b]indole
CID 71539686
9-[[1-[[4-[4-[[4-(Carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]methyl]carbazole
CID 155544405
2-Benzyl-1-phenyl-9-(3-phenylpropyl)pyrido[3,4-b]indol-2-ium bromide
CID 71739930
3-[[5-[bis(5-fluoro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole
CID 127035573
3-[[6-[bis(5-fluoro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole
CID 127035751

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-5-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-5-(trifluoromethyl)phenyl]carbazole (CID 147762119) is 3-carbazol-9-yl-9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-5-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-5-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-5-(trifluoromethyl)phenyl]carbazole is FC(F)(F)c1ccc(-c2ccncc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.
What is the InChIKey of 3-carbazol-9-yl-9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-5-(trifluoromethyl)phenyl]carbazole?
The InChIKey is HEGXMRZHHDRSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36F3N5/c61-60(62,63)37-25-28-46(58(33-37)67-54-23-11-5-17-44(54)48-34-38(26-29-56(48)67)65-50-19-7-1-13-40(50)41-14-2-8-20-51(41)65)47-31-32-64-36-59(47)68-55-24-12-6-18-45(55)49-35-39(27-30-57(49)68)66-52-21-9-3-15-42(52)43-16-4-10-22-53(43)66/h1-36H.
What are the key properties of 3-carbazol-9-yl-9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-5-(trifluoromethyl)phenyl]carbazole?
3-carbazol-9-yl-9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-5-(trifluoromethyl)phenyl]carbazole has a molecular weight of 883.98 g/mol, XLogP of 16.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-5-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 147762119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).