9-[4-(trifluoromethyl)phenyl]-3,6-ditritylcarbazole

C57H40F3N — CID 58479630

IUPAC9-[4-(trifluoromethyl)phenyl]-3,6-ditritylcarbazole
SMILESFC(F)(F)c1ccc(-n2c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc(C(c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1
InChIInChI=1S/C57H40F3N/c58-57(59,60)47-31-35-50(36-32-47)61-53-37-33-48(55(41-19-7-1-8-20-41,42-21-9-2-10-22-42)43-23-11-3-12-24-43)39-51(53)52-40-49(34-38-54(52)61)56(44-25-13-4-14-26-44,45-27-15-5-16-28-45)46-29-17-6-18-30-46/h1-40H
InChIKeyZUYPXZXCCGTMCN-UHFFFAOYSA-N
MW795.95 g/mol
LogP14.57
Rot. Bonds9

About 9-[4-(trifluoromethyl)phenyl]-3,6-ditritylcarbazole

9-[4-(trifluoromethyl)phenyl]-3,6-ditritylcarbazole (PubChem CID 58479630) has the molecular formula C57H40F3N and a molecular weight of 795.95 g/mol. Its IUPAC name is 9-[4-(trifluoromethyl)phenyl]-3,6-ditritylcarbazole.

Molecular Properties

Compound Name9-[4-(trifluoromethyl)phenyl]-3,6-ditritylcarbazole
PubChem CID58479630
Molecular FormulaC57H40F3N
Molecular Weight795.95 g/mol
Exact Mass795.31
IUPAC Name9-[4-(trifluoromethyl)phenyl]-3,6-ditritylcarbazole
SMILESFC(F)(F)c1ccc(-n2c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc(C(c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1
InChIInChI=1S/C57H40F3N/c58-57(59,60)47-31-35-50(36-32-47)61-53-37-33-48(55(41-19-7-1-8-20-41,42-21-9-2-10-22-42)43-23-11-3-12-24-43)39-51(53)52-40-49(34-38-54(52)61)56(44-25-13-4-14-26-44,45-27-15-5-16-28-45)46-29-17-6-18-30-46/h1-40H
InChIKeyZUYPXZXCCGTMCN-UHFFFAOYSA-N
XLogP14.57
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.95
LogP ≤ 514.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole
CID 164756650
9-[4-[diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]methyl]phenyl]-2-(trifluoromethyl)carbazole
CID 90277489
9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 59399865
9-(4-tritylphenyl)carbazole
CID 162500226
3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-(4-tritylphenyl)carbazole
CID 130231251
9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole
CID 130230832
3-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-6-tritylcarbazole
CID 164756654
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole
CID 142391271
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 159638149
3-(9H-carbazol-3-yl)-6-(trifluoromethyl)-9-[4-(trifluoromethyl)phenyl]carbazole
CID 59307060
6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 146666361

Frequently Asked Questions

What is the IUPAC name of 9-[4-(trifluoromethyl)phenyl]-3,6-ditritylcarbazole?
The IUPAC name of 9-[4-(trifluoromethyl)phenyl]-3,6-ditritylcarbazole (CID 58479630) is 9-[4-(trifluoromethyl)phenyl]-3,6-ditritylcarbazole.
What is the SMILES notation for 9-[4-(trifluoromethyl)phenyl]-3,6-ditritylcarbazole?
The canonical SMILES for 9-[4-(trifluoromethyl)phenyl]-3,6-ditritylcarbazole is FC(F)(F)c1ccc(-n2c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc(C(c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1.
What is the InChIKey of 9-[4-(trifluoromethyl)phenyl]-3,6-ditritylcarbazole?
The InChIKey is ZUYPXZXCCGTMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40F3N/c58-57(59,60)47-31-35-50(36-32-47)61-53-37-33-48(55(41-19-7-1-8-20-41,42-21-9-2-10-22-42)43-23-11-3-12-24-43)39-51(53)52-40-49(34-38-54(52)61)56(44-25-13-4-14-26-44,45-27-15-5-16-28-45)46-29-17-6-18-30-46/h1-40H.
What are the key properties of 9-[4-(trifluoromethyl)phenyl]-3,6-ditritylcarbazole?
9-[4-(trifluoromethyl)phenyl]-3,6-ditritylcarbazole has a molecular weight of 795.95 g/mol, XLogP of 14.57, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(trifluoromethyl)phenyl]-3,6-ditritylcarbazole is sourced from PubChem (CID 58479630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).