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

C90H62F3N7O2 — CID 155138395

IUPAC3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbazole
SMILESFC(F)(F)c1cccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(OCCCn5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(OCCCn5c6ccccc6c6ccccc65)ccc43)c2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C90H62F3N7O2/c91-90(92,93)58-25-21-24-57(54-58)85-86(97-77-40-15-5-30-65(77)66-31-6-16-41-78(66)97)88(99-81-44-19-9-34-69(81)71-55-59(46-48-83(71)99)101-52-22-50-95-73-36-11-1-26-61(73)62-27-2-12-37-74(62)95)94-89(87(85)98-79-42-17-7-32-67(79)68-33-8-18-43-80(68)98)100-82-45-20-10-35-70(82)72-56-60(47-49-84(72)100)102-53-23-51-96-75-38-13-3-28-63(75)64-29-4-14-39-76(64)96/h1-21,24-49,54-56H,22-23,50-53H2
InChIKeyJCTLUKXMJVFPDM-UHFFFAOYSA-N
MW1330.53 g/mol
LogP23.31
Rot. Bonds15

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

3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbazole (PubChem CID 155138395) has the molecular formula C90H62F3N7O2 and a molecular weight of 1330.53 g/mol. Its IUPAC name is 3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbazole.

Molecular Properties

Compound Name3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbazole
PubChem CID155138395
Molecular FormulaC90H62F3N7O2
Molecular Weight1330.53 g/mol
Exact Mass1329.49
IUPAC Name3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbazole
SMILESFC(F)(F)c1cccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(OCCCn5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(OCCCn5c6ccccc6c6ccccc65)ccc43)c2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C90H62F3N7O2/c91-90(92,93)58-25-21-24-57(54-58)85-86(97-77-40-15-5-30-65(77)66-31-6-16-41-78(66)97)88(99-81-44-19-9-34-69(81)71-55-59(46-48-83(71)99)101-52-22-50-95-73-36-11-1-26-61(73)62-27-2-12-37-74(62)95)94-89(87(85)98-79-42-17-7-32-67(79)68-33-8-18-43-80(68)98)100-82-45-20-10-35-70(82)72-56-60(47-49-84(72)100)102-53-23-51-96-75-38-13-3-28-63(75)64-29-4-14-39-76(64)96/h1-21,24-49,54-56H,22-23,50-53H2
InChIKeyJCTLUKXMJVFPDM-UHFFFAOYSA-N
XLogP23.31
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001330.53
LogP ≤ 523.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbazole?
The IUPAC name of 3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbazole (CID 155138395) is 3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbazole.
What is the SMILES notation for 3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbazole?
The canonical SMILES for 3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbazole is FC(F)(F)c1cccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(OCCCn5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(OCCCn5c6ccccc6c6ccccc65)ccc43)c2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbazole?
The InChIKey is JCTLUKXMJVFPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H62F3N7O2/c91-90(92,93)58-25-21-24-57(54-58)85-86(97-77-40-15-5-30-65(77)66-31-6-16-41-78(66)97)88(99-81-44-19-9-34-69(81)71-55-59(46-48-83(71)99)101-52-22-50-95-73-36-11-1-26-61(73)62-27-2-12-37-74(62)95)94-89(87(85)98-79-42-17-7-32-67(79)68-33-8-18-43-80(68)98)100-82-45-20-10-35-70(82)72-56-60(47-49-84(72)100)102-53-23-51-96-75-38-13-3-28-63(75)64-29-4-14-39-76(64)96/h1-21,24-49,54-56H,22-23,50-53H2.
What are the key properties of 3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbazole?
3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbazole has a molecular weight of 1330.53 g/mol, XLogP of 23.31, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbazole is sourced from PubChem (CID 155138395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).