5-phenylmethoxy-9-(trifluoromethyl)-7H-benzo[c]carbazole

C24H16F3NO — CID 148864471

IUPAC5-phenylmethoxy-9-(trifluoromethyl)-7H-benzo[c]carbazole
SMILESFC(F)(F)c1ccc2c(c1)[nH]c1cc(OCc3ccccc3)c3ccccc3c12
InChIInChI=1S/C24H16F3NO/c25-24(26,27)16-10-11-19-20(12-16)28-21-13-22(29-14-15-6-2-1-3-7-15)17-8-4-5-9-18(17)23(19)21/h1-13,28H,14H2
InChIKeyOZYKCMUKEQYXOB-UHFFFAOYSA-N
MW391.39 g/mol
LogP7.07
Rot. Bonds3

About 5-phenylmethoxy-9-(trifluoromethyl)-7H-benzo[c]carbazole

5-phenylmethoxy-9-(trifluoromethyl)-7H-benzo[c]carbazole (PubChem CID 148864471) has the molecular formula C24H16F3NO and a molecular weight of 391.39 g/mol. Its IUPAC name is 5-phenylmethoxy-9-(trifluoromethyl)-7H-benzo[c]carbazole.

Molecular Properties

Compound Name5-phenylmethoxy-9-(trifluoromethyl)-7H-benzo[c]carbazole
PubChem CID148864471
Molecular FormulaC24H16F3NO
Molecular Weight391.39 g/mol
Exact Mass391.12
IUPAC Name5-phenylmethoxy-9-(trifluoromethyl)-7H-benzo[c]carbazole
SMILESFC(F)(F)c1ccc2c(c1)[nH]c1cc(OCc3ccccc3)c3ccccc3c12
InChIInChI=1S/C24H16F3NO/c25-24(26,27)16-10-11-19-20(12-16)28-21-13-22(29-14-15-6-2-1-3-7-15)17-8-4-5-9-18(17)23(19)21/h1-13,28H,14H2
InChIKeyOZYKCMUKEQYXOB-UHFFFAOYSA-N
XLogP7.07
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.39
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-9-(trifluoromethyl)-7H-benzo[c]carbazole?
The IUPAC name of 5-phenylmethoxy-9-(trifluoromethyl)-7H-benzo[c]carbazole (CID 148864471) is 5-phenylmethoxy-9-(trifluoromethyl)-7H-benzo[c]carbazole.
What is the SMILES notation for 5-phenylmethoxy-9-(trifluoromethyl)-7H-benzo[c]carbazole?
The canonical SMILES for 5-phenylmethoxy-9-(trifluoromethyl)-7H-benzo[c]carbazole is FC(F)(F)c1ccc2c(c1)[nH]c1cc(OCc3ccccc3)c3ccccc3c12.
What is the InChIKey of 5-phenylmethoxy-9-(trifluoromethyl)-7H-benzo[c]carbazole?
The InChIKey is OZYKCMUKEQYXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3NO/c25-24(26,27)16-10-11-19-20(12-16)28-21-13-22(29-14-15-6-2-1-3-7-15)17-8-4-5-9-18(17)23(19)21/h1-13,28H,14H2.
What are the key properties of 5-phenylmethoxy-9-(trifluoromethyl)-7H-benzo[c]carbazole?
5-phenylmethoxy-9-(trifluoromethyl)-7H-benzo[c]carbazole has a molecular weight of 391.39 g/mol, XLogP of 7.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-9-(trifluoromethyl)-7H-benzo[c]carbazole is sourced from PubChem (CID 148864471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).