9-phenyl-3,6-bis[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole

C34H19F6NO2 — CID 59582224

IUPAC9-phenyl-3,6-bis[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole
SMILESFC(F)=C(F)Oc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(OC(F)=C(F)F)cc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C34H19F6NO2/c35-31(36)33(39)42-25-12-6-20(7-13-25)22-10-16-29-27(18-22)28-19-23(11-17-30(28)41(29)24-4-2-1-3-5-24)21-8-14-26(15-9-21)43-34(40)32(37)38/h1-19H
InChIKeyQVKFAZDMPQJXNF-UHFFFAOYSA-N
MW587.52 g/mol
LogP10.95
Rot. Bonds7

About 9-phenyl-3,6-bis[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole

9-phenyl-3,6-bis[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole (PubChem CID 59582224) has the molecular formula C34H19F6NO2 and a molecular weight of 587.52 g/mol. Its IUPAC name is 9-phenyl-3,6-bis[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-3,6-bis[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole
PubChem CID59582224
Molecular FormulaC34H19F6NO2
Molecular Weight587.52 g/mol
Exact Mass587.13
IUPAC Name9-phenyl-3,6-bis[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole
SMILESFC(F)=C(F)Oc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(OC(F)=C(F)F)cc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C34H19F6NO2/c35-31(36)33(39)42-25-12-6-20(7-13-25)22-10-16-29-27(18-22)28-19-23(11-17-30(28)41(29)24-4-2-1-3-5-24)21-8-14-26(15-9-21)43-34(40)32(37)38/h1-19H
InChIKeyQVKFAZDMPQJXNF-UHFFFAOYSA-N
XLogP10.95
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.52
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3,6-bis[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole?
The IUPAC name of 9-phenyl-3,6-bis[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole (CID 59582224) is 9-phenyl-3,6-bis[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole.
What is the SMILES notation for 9-phenyl-3,6-bis[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole?
The canonical SMILES for 9-phenyl-3,6-bis[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole is FC(F)=C(F)Oc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(OC(F)=C(F)F)cc4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 9-phenyl-3,6-bis[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole?
The InChIKey is QVKFAZDMPQJXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19F6NO2/c35-31(36)33(39)42-25-12-6-20(7-13-25)22-10-16-29-27(18-22)28-19-23(11-17-30(28)41(29)24-4-2-1-3-5-24)21-8-14-26(15-9-21)43-34(40)32(37)38/h1-19H.
What are the key properties of 9-phenyl-3,6-bis[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole?
9-phenyl-3,6-bis[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole has a molecular weight of 587.52 g/mol, XLogP of 10.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3,6-bis[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole is sourced from PubChem (CID 59582224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).