11-(1-fluorocarbazol-9-yl)-3,4,6,16-tetramethyl-8-oxa-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

C31H24FN2O+ — CID 171459026

IUPAC11-(1-fluorocarbazol-9-yl)-3,4,6,16-tetramethyl-8-oxa-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
SMILESCc1cc(C)c2c(c1C)-c1c3c(cc(-n4c5ccccc5c5cccc(F)c54)cc3cc[n+]1C)O2
InChIInChI=1S/C31H24FN2O/c1-17-14-18(2)31-27(19(17)3)30-28-20(12-13-33(30)4)15-21(16-26(28)35-31)34-25-11-6-5-8-22(25)23-9-7-10-24(32)29(23)34/h5-16H,1-4H3/q+1
InChIKeyRXNFOCNDDHEUCA-UHFFFAOYSA-N
MW459.54 g/mol
LogP7.60
Rot. Bonds1

About 11-(1-fluorocarbazol-9-yl)-3,4,6,16-tetramethyl-8-oxa-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

11-(1-fluorocarbazol-9-yl)-3,4,6,16-tetramethyl-8-oxa-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (PubChem CID 171459026) has the molecular formula C31H24FN2O+ and a molecular weight of 459.54 g/mol. Its IUPAC name is 11-(1-fluorocarbazol-9-yl)-3,4,6,16-tetramethyl-8-oxa-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene.

Molecular Properties

Compound Name11-(1-fluorocarbazol-9-yl)-3,4,6,16-tetramethyl-8-oxa-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
PubChem CID171459026
Molecular FormulaC31H24FN2O+
Molecular Weight459.54 g/mol
Exact Mass459.19
IUPAC Name11-(1-fluorocarbazol-9-yl)-3,4,6,16-tetramethyl-8-oxa-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
SMILESCc1cc(C)c2c(c1C)-c1c3c(cc(-n4c5ccccc5c5cccc(F)c54)cc3cc[n+]1C)O2
InChIInChI=1S/C31H24FN2O/c1-17-14-18(2)31-27(19(17)3)30-28-20(12-13-33(30)4)15-21(16-26(28)35-31)34-25-11-6-5-8-22(25)23-9-7-10-24(32)29(23)34/h5-16H,1-4H3/q+1
InChIKeyRXNFOCNDDHEUCA-UHFFFAOYSA-N
XLogP7.60
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.54
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 11-(1-fluorocarbazol-9-yl)-3,4,6,16-tetramethyl-8-oxa-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene with MolForge

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Related Compounds

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9-Methoxy-5,6,11-trimethylpyrido[4,3-b]carbazole
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1'-[4-[1-(4-Fluorophenyl)indol-3-yl]butyl]spiro[2,3-dihydrochromene-4,4'-piperidine]
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Frequently Asked Questions

What is the IUPAC name of 11-(1-fluorocarbazol-9-yl)-3,4,6,16-tetramethyl-8-oxa-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
The IUPAC name of 11-(1-fluorocarbazol-9-yl)-3,4,6,16-tetramethyl-8-oxa-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (CID 171459026) is 11-(1-fluorocarbazol-9-yl)-3,4,6,16-tetramethyl-8-oxa-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene.
What is the SMILES notation for 11-(1-fluorocarbazol-9-yl)-3,4,6,16-tetramethyl-8-oxa-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
The canonical SMILES for 11-(1-fluorocarbazol-9-yl)-3,4,6,16-tetramethyl-8-oxa-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is Cc1cc(C)c2c(c1C)-c1c3c(cc(-n4c5ccccc5c5cccc(F)c54)cc3cc[n+]1C)O2.
What is the InChIKey of 11-(1-fluorocarbazol-9-yl)-3,4,6,16-tetramethyl-8-oxa-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
The InChIKey is RXNFOCNDDHEUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24FN2O/c1-17-14-18(2)31-27(19(17)3)30-28-20(12-13-33(30)4)15-21(16-26(28)35-31)34-25-11-6-5-8-22(25)23-9-7-10-24(32)29(23)34/h5-16H,1-4H3/q+1.
What are the key properties of 11-(1-fluorocarbazol-9-yl)-3,4,6,16-tetramethyl-8-oxa-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
11-(1-fluorocarbazol-9-yl)-3,4,6,16-tetramethyl-8-oxa-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene has a molecular weight of 459.54 g/mol, XLogP of 7.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1-fluorocarbazol-9-yl)-3,4,6,16-tetramethyl-8-oxa-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is sourced from PubChem (CID 171459026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).