methyl 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylate

C24H16FNO2 — CID 151434203

IUPACmethyl 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylate
SMILESCOC(=O)C1=CC(c2ccc(F)cc2)=CC23C1=CC=CC2=Nc1ccccc13
InChIInChI=1S/C24H16FNO2/c1-28-23(27)18-13-16(15-9-11-17(25)12-10-15)14-24-19(18)6-4-8-22(24)26-21-7-3-2-5-20(21)24/h2-14H,1H3
InChIKeyPDDNNXQKQSTXHC-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.84
Rot. Bonds2

About methyl 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylate

methyl 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylate (PubChem CID 151434203) has the molecular formula C24H16FNO2 and a molecular weight of 369.40 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylate
PubChem CID151434203
Molecular FormulaC24H16FNO2
Molecular Weight369.40 g/mol
Exact Mass369.12
IUPAC Namemethyl 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylate
SMILESCOC(=O)C1=CC(c2ccc(F)cc2)=CC23C1=CC=CC2=Nc1ccccc13
InChIInChI=1S/C24H16FNO2/c1-28-23(27)18-13-16(15-9-11-17(25)12-10-15)14-24-19(18)6-4-8-22(24)26-21-7-3-2-5-20(21)24/h2-14H,1H3
InChIKeyPDDNNXQKQSTXHC-UHFFFAOYSA-N
XLogP4.84
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylate (CID 151434203) is methyl 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylate is COC(=O)C1=CC(c2ccc(F)cc2)=CC23C1=CC=CC2=Nc1ccccc13.
What is the InChIKey of methyl 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylate?
The InChIKey is PDDNNXQKQSTXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FNO2/c1-28-23(27)18-13-16(15-9-11-17(25)12-10-15)14-24-19(18)6-4-8-22(24)26-21-7-3-2-5-20(21)24/h2-14H,1H3.
What are the key properties of methyl 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylate?
methyl 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylate has a molecular weight of 369.40 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylate is sourced from PubChem (CID 151434203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).