(7-phenylbenzo[c]carbazol-10-yl) trifluoromethanesulfonate

C23H14F3NO3S — CID 121357430

IUPAC(7-phenylbenzo[c]carbazol-10-yl) trifluoromethanesulfonate
SMILESO=S(=O)(Oc1ccc2c(c1)c1c3ccccc3ccc1n2-c1ccccc1)C(F)(F)F
InChIInChI=1S/C23H14F3NO3S/c24-23(25,26)31(28,29)30-17-11-13-20-19(14-17)22-18-9-5-4-6-15(18)10-12-21(22)27(20)16-7-2-1-3-8-16/h1-14H
InChIKeyOWKUUUMWDFJDMS-UHFFFAOYSA-N
MW441.43 g/mol
LogP6.17
Rot. Bonds3

About (7-phenylbenzo[c]carbazol-10-yl) trifluoromethanesulfonate

(7-phenylbenzo[c]carbazol-10-yl) trifluoromethanesulfonate (PubChem CID 121357430) has the molecular formula C23H14F3NO3S and a molecular weight of 441.43 g/mol. Its IUPAC name is (7-phenylbenzo[c]carbazol-10-yl) trifluoromethanesulfonate.

Molecular Properties

Compound Name(7-phenylbenzo[c]carbazol-10-yl) trifluoromethanesulfonate
PubChem CID121357430
Molecular FormulaC23H14F3NO3S
Molecular Weight441.43 g/mol
Exact Mass441.06
IUPAC Name(7-phenylbenzo[c]carbazol-10-yl) trifluoromethanesulfonate
SMILESO=S(=O)(Oc1ccc2c(c1)c1c3ccccc3ccc1n2-c1ccccc1)C(F)(F)F
InChIInChI=1S/C23H14F3NO3S/c24-23(25,26)31(28,29)30-17-11-13-20-19(14-17)22-18-9-5-4-6-15(18)10-12-21(22)27(20)16-7-2-1-3-8-16/h1-14H
InChIKeyOWKUUUMWDFJDMS-UHFFFAOYSA-N
XLogP6.17
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.43
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

10-methyl-7-phenylbenzo[c]carbazole
CID 66635542
(9,18-diphenyl-9,18,28,35-tetrazanonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,26.027,35.029,34]pentatriaconta-1,3,5,7,10,12,14,16,19,21(26),22,24,27,29,31,33-hexadecaen-24-yl) trifluoromethanesulfonate
CID 162487166
[7-naphthalen-1-yl-5-(trifluoromethylsulfonyloxy)benzo[g]carbazol-9-yl] trifluoromethanesulfonate
CID 88530188
7-phenyl-10-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole
CID 129290171
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 130351055
methyl 2-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzoate
CID 90265812
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole
CID 118133204
7-(4-carbazol-9-ylphenyl)benzo[c]carbazole
CID 70836917
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazole;7-phenyl-3-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazole
CID 159885247
15,19,24-triphenyl-15,19,24-triazanonacyclo[19.15.0.02,18.04,16.05,14.06,11.023,35.025,34.028,33]hexatriaconta-1(36),2,4(16),5(14),6,8,10,12,17,21,23(35),25(34),26,28,30,32-hexadecaen-20-one
CID 168933321
12-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 59103404
7-naphthalen-2-yl-10-(7-naphthalen-2-ylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 118919598

Frequently Asked Questions

What is the IUPAC name of (7-phenylbenzo[c]carbazol-10-yl) trifluoromethanesulfonate?
The IUPAC name of (7-phenylbenzo[c]carbazol-10-yl) trifluoromethanesulfonate (CID 121357430) is (7-phenylbenzo[c]carbazol-10-yl) trifluoromethanesulfonate.
What is the SMILES notation for (7-phenylbenzo[c]carbazol-10-yl) trifluoromethanesulfonate?
The canonical SMILES for (7-phenylbenzo[c]carbazol-10-yl) trifluoromethanesulfonate is O=S(=O)(Oc1ccc2c(c1)c1c3ccccc3ccc1n2-c1ccccc1)C(F)(F)F.
What is the InChIKey of (7-phenylbenzo[c]carbazol-10-yl) trifluoromethanesulfonate?
The InChIKey is OWKUUUMWDFJDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3NO3S/c24-23(25,26)31(28,29)30-17-11-13-20-19(14-17)22-18-9-5-4-6-15(18)10-12-21(22)27(20)16-7-2-1-3-8-16/h1-14H.
What are the key properties of (7-phenylbenzo[c]carbazol-10-yl) trifluoromethanesulfonate?
(7-phenylbenzo[c]carbazol-10-yl) trifluoromethanesulfonate has a molecular weight of 441.43 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-phenylbenzo[c]carbazol-10-yl) trifluoromethanesulfonate is sourced from PubChem (CID 121357430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).