[1-carbazol-9-yl-7-(N-phenylanilino)dibenzofuran-4-yl] trifluoromethanesulfonate

C37H23F3N2O4S — CID 162473535

IUPAC[1-carbazol-9-yl-7-(N-phenylanilino)dibenzofuran-4-yl] trifluoromethanesulfonate
SMILESO=S(=O)(Oc1ccc(-n2c3ccccc3c3ccccc32)c2c1oc1cc(N(c3ccccc3)c3ccccc3)ccc12)C(F)(F)F
InChIInChI=1S/C37H23F3N2O4S/c38-37(39,40)47(43,44)46-33-22-21-32(42-30-17-9-7-15-27(30)28-16-8-10-18-31(28)42)35-29-20-19-26(23-34(29)45-36(33)35)41(24-11-3-1-4-12-24)25-13-5-2-6-14-25/h1-23H
InChIKeyCYNGLTTZQVTNNX-UHFFFAOYSA-N
MW648.66 g/mol
LogP10.38
Rot. Bonds6

About [1-carbazol-9-yl-7-(N-phenylanilino)dibenzofuran-4-yl] trifluoromethanesulfonate

[1-carbazol-9-yl-7-(N-phenylanilino)dibenzofuran-4-yl] trifluoromethanesulfonate (PubChem CID 162473535) has the molecular formula C37H23F3N2O4S and a molecular weight of 648.66 g/mol. Its IUPAC name is [1-carbazol-9-yl-7-(N-phenylanilino)dibenzofuran-4-yl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[1-carbazol-9-yl-7-(N-phenylanilino)dibenzofuran-4-yl] trifluoromethanesulfonate
PubChem CID162473535
Molecular FormulaC37H23F3N2O4S
Molecular Weight648.66 g/mol
Exact Mass648.13
IUPAC Name[1-carbazol-9-yl-7-(N-phenylanilino)dibenzofuran-4-yl] trifluoromethanesulfonate
SMILESO=S(=O)(Oc1ccc(-n2c3ccccc3c3ccccc32)c2c1oc1cc(N(c3ccccc3)c3ccccc3)ccc12)C(F)(F)F
InChIInChI=1S/C37H23F3N2O4S/c38-37(39,40)47(43,44)46-33-22-21-32(42-30-17-9-7-15-27(30)28-16-8-10-18-31(28)42)35-29-20-19-26(23-34(29)45-36(33)35)41(24-11-3-1-4-12-24)25-13-5-2-6-14-25/h1-23H
InChIKeyCYNGLTTZQVTNNX-UHFFFAOYSA-N
XLogP10.38
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.66
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

[1-carbazol-9-yl-9-(N-phenylanilino)dibenzofuran-4-yl] trifluoromethanesulfonate
CID 162473625
9-carbazol-9-yl-6-fluoro-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 165374513
[4-bromo-8-(N-(9-phenylcarbazol-2-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate
CID 159227011
[1-(N-phenylanilino)-7-(N-(9-phenylcarbazol-3-yl)anilino)dibenzothiophen-4-yl] trifluoromethanesulfonate
CID 162473564
9-carbazol-9-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-3-amine
CID 165374573
1-N,1-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(9-phenylcarbazol-3-yl)dibenzofuran-1,4,7-triamine
CID 162473597
3-(9-dibenzofuran-1-ylcarbazol-2-yl)-N,N-diphenylaniline
CID 118505905
[1-carbazol-9-yl-9-(N-phenylanilino)dibenzothiophen-3-yl] trifluoromethanesulfonate
CID 162473504
N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine
CID 170235145
phenyl-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]methanone
CID 121420603
6-carbazol-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 165374648
N-[3-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 168809142

Frequently Asked Questions

What is the IUPAC name of [1-carbazol-9-yl-7-(N-phenylanilino)dibenzofuran-4-yl] trifluoromethanesulfonate?
The IUPAC name of [1-carbazol-9-yl-7-(N-phenylanilino)dibenzofuran-4-yl] trifluoromethanesulfonate (CID 162473535) is [1-carbazol-9-yl-7-(N-phenylanilino)dibenzofuran-4-yl] trifluoromethanesulfonate.
What is the SMILES notation for [1-carbazol-9-yl-7-(N-phenylanilino)dibenzofuran-4-yl] trifluoromethanesulfonate?
The canonical SMILES for [1-carbazol-9-yl-7-(N-phenylanilino)dibenzofuran-4-yl] trifluoromethanesulfonate is O=S(=O)(Oc1ccc(-n2c3ccccc3c3ccccc32)c2c1oc1cc(N(c3ccccc3)c3ccccc3)ccc12)C(F)(F)F.
What is the InChIKey of [1-carbazol-9-yl-7-(N-phenylanilino)dibenzofuran-4-yl] trifluoromethanesulfonate?
The InChIKey is CYNGLTTZQVTNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23F3N2O4S/c38-37(39,40)47(43,44)46-33-22-21-32(42-30-17-9-7-15-27(30)28-16-8-10-18-31(28)42)35-29-20-19-26(23-34(29)45-36(33)35)41(24-11-3-1-4-12-24)25-13-5-2-6-14-25/h1-23H.
What are the key properties of [1-carbazol-9-yl-7-(N-phenylanilino)dibenzofuran-4-yl] trifluoromethanesulfonate?
[1-carbazol-9-yl-7-(N-phenylanilino)dibenzofuran-4-yl] trifluoromethanesulfonate has a molecular weight of 648.66 g/mol, XLogP of 10.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-carbazol-9-yl-7-(N-phenylanilino)dibenzofuran-4-yl] trifluoromethanesulfonate is sourced from PubChem (CID 162473535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).