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

C91H61F6N7O2 — CID 155138605

IUPAC9-[4-[3,5-bis(trifluoromethyl)phenyl]-3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-2-pyridinyl]-3-(3-carbazol-9-ylpropoxy)carbazole
SMILESFC(F)(F)c1cc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(OCCCn5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(OCCCn5c6ccccc6c6ccccc65)ccc43)c2-n2c3ccccc3c3ccccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C91H61F6N7O2/c92-90(93,94)57-51-56(52-58(53-57)91(95,96)97)85-86(101-77-37-15-5-27-65(77)66-28-6-16-38-78(66)101)88(103-81-41-19-9-31-69(81)71-54-59(43-45-83(71)103)105-49-21-47-99-73-33-11-1-23-61(73)62-24-2-12-34-74(62)99)98-89(87(85)102-79-39-17-7-29-67(79)68-30-8-18-40-80(68)102)104-82-42-20-10-32-70(82)72-55-60(44-46-84(72)104)106-50-22-48-100-75-35-13-3-25-63(75)64-26-4-14-36-76(64)100/h1-20,23-46,51-55H,21-22,47-50H2
InChIKeyUFDOTGIMZWACQR-UHFFFAOYSA-N
MW1398.52 g/mol
LogP24.33
Rot. Bonds15

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

9-[4-[3,5-bis(trifluoromethyl)phenyl]-3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-2-pyridinyl]-3-(3-carbazol-9-ylpropoxy)carbazole (PubChem CID 155138605) has the molecular formula C91H61F6N7O2 and a molecular weight of 1398.52 g/mol. Its IUPAC name is 9-[4-[3,5-bis(trifluoromethyl)phenyl]-3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-2-pyridinyl]-3-(3-carbazol-9-ylpropoxy)carbazole.

Molecular Properties

Compound Name9-[4-[3,5-bis(trifluoromethyl)phenyl]-3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-2-pyridinyl]-3-(3-carbazol-9-ylpropoxy)carbazole
PubChem CID155138605
Molecular FormulaC91H61F6N7O2
Molecular Weight1398.52 g/mol
Exact Mass1397.48
IUPAC Name9-[4-[3,5-bis(trifluoromethyl)phenyl]-3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-2-pyridinyl]-3-(3-carbazol-9-ylpropoxy)carbazole
SMILESFC(F)(F)c1cc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(OCCCn5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(OCCCn5c6ccccc6c6ccccc65)ccc43)c2-n2c3ccccc3c3ccccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C91H61F6N7O2/c92-90(93,94)57-51-56(52-58(53-57)91(95,96)97)85-86(101-77-37-15-5-27-65(77)66-28-6-16-38-78(66)101)88(103-81-41-19-9-31-69(81)71-54-59(43-45-83(71)103)105-49-21-47-99-73-33-11-1-23-61(73)62-24-2-12-34-74(62)99)98-89(87(85)102-79-39-17-7-29-67(79)68-30-8-18-40-80(68)102)104-82-42-20-10-32-70(82)72-55-60(44-46-84(72)104)106-50-22-48-100-75-35-13-3-25-63(75)64-26-4-14-36-76(64)100/h1-20,23-46,51-55H,21-22,47-50H2
InChIKeyUFDOTGIMZWACQR-UHFFFAOYSA-N
XLogP24.33
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001398.52
LogP ≤ 524.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3,5-bis(trifluoromethyl)phenyl]-3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-2-pyridinyl]-3-(3-carbazol-9-ylpropoxy)carbazole?
The IUPAC name of 9-[4-[3,5-bis(trifluoromethyl)phenyl]-3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-2-pyridinyl]-3-(3-carbazol-9-ylpropoxy)carbazole (CID 155138605) is 9-[4-[3,5-bis(trifluoromethyl)phenyl]-3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-2-pyridinyl]-3-(3-carbazol-9-ylpropoxy)carbazole.
What is the SMILES notation for 9-[4-[3,5-bis(trifluoromethyl)phenyl]-3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-2-pyridinyl]-3-(3-carbazol-9-ylpropoxy)carbazole?
The canonical SMILES for 9-[4-[3,5-bis(trifluoromethyl)phenyl]-3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-2-pyridinyl]-3-(3-carbazol-9-ylpropoxy)carbazole is FC(F)(F)c1cc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(OCCCn5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(OCCCn5c6ccccc6c6ccccc65)ccc43)c2-n2c3ccccc3c3ccccc32)cc(C(F)(F)F)c1.
What is the InChIKey of 9-[4-[3,5-bis(trifluoromethyl)phenyl]-3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-2-pyridinyl]-3-(3-carbazol-9-ylpropoxy)carbazole?
The InChIKey is UFDOTGIMZWACQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H61F6N7O2/c92-90(93,94)57-51-56(52-58(53-57)91(95,96)97)85-86(101-77-37-15-5-27-65(77)66-28-6-16-38-78(66)101)88(103-81-41-19-9-31-69(81)71-54-59(43-45-83(71)103)105-49-21-47-99-73-33-11-1-23-61(73)62-24-2-12-34-74(62)99)98-89(87(85)102-79-39-17-7-29-67(79)68-30-8-18-40-80(68)102)104-82-42-20-10-32-70(82)72-55-60(44-46-84(72)104)106-50-22-48-100-75-35-13-3-25-63(75)64-26-4-14-36-76(64)100/h1-20,23-46,51-55H,21-22,47-50H2.
What are the key properties of 9-[4-[3,5-bis(trifluoromethyl)phenyl]-3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-2-pyridinyl]-3-(3-carbazol-9-ylpropoxy)carbazole?
9-[4-[3,5-bis(trifluoromethyl)phenyl]-3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-2-pyridinyl]-3-(3-carbazol-9-ylpropoxy)carbazole has a molecular weight of 1398.52 g/mol, XLogP of 24.33, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3,5-bis(trifluoromethyl)phenyl]-3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-2-pyridinyl]-3-(3-carbazol-9-ylpropoxy)carbazole is sourced from PubChem (CID 155138605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).