5-[(4-fluorophenyl)methyl]-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole

C26H24FNO — CID 54073436

IUPAC5-[(4-fluorophenyl)methyl]-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole
SMILESFc1ccc(CC2C=CC(OCc3ccccc3)=c3[nH]c4c(c32)CCCC=4)cc1
InChIInChI=1S/C26H24FNO/c27-21-13-10-18(11-14-21)16-20-12-15-24(29-17-19-6-2-1-3-7-19)26-25(20)22-8-4-5-9-23(22)28-26/h1-3,6-7,9-15,20,28H,4-5,8,16-17H2
InChIKeyMIAXNCBUZZPRGY-UHFFFAOYSA-N
MW385.48 g/mol
LogP4.49
Rot. Bonds5

About 5-[(4-fluorophenyl)methyl]-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole

5-[(4-fluorophenyl)methyl]-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole (PubChem CID 54073436) has the molecular formula C26H24FNO and a molecular weight of 385.48 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole
PubChem CID54073436
Molecular FormulaC26H24FNO
Molecular Weight385.48 g/mol
Exact Mass385.18
IUPAC Name5-[(4-fluorophenyl)methyl]-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole
SMILESFc1ccc(CC2C=CC(OCc3ccccc3)=c3[nH]c4c(c32)CCCC=4)cc1
InChIInChI=1S/C26H24FNO/c27-21-13-10-18(11-14-21)16-20-12-15-24(29-17-19-6-2-1-3-7-19)26-25(20)22-8-4-5-9-23(22)28-26/h1-3,6-7,9-15,20,28H,4-5,8,16-17H2
InChIKeyMIAXNCBUZZPRGY-UHFFFAOYSA-N
XLogP4.49
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole (CID 54073436) is 5-[(4-fluorophenyl)methyl]-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole is Fc1ccc(CC2C=CC(OCc3ccccc3)=c3[nH]c4c(c32)CCCC=4)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole?
The InChIKey is MIAXNCBUZZPRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO/c27-21-13-10-18(11-14-21)16-20-12-15-24(29-17-19-6-2-1-3-7-19)26-25(20)22-8-4-5-9-23(22)28-26/h1-3,6-7,9-15,20,28H,4-5,8,16-17H2.
What are the key properties of 5-[(4-fluorophenyl)methyl]-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole?
5-[(4-fluorophenyl)methyl]-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole has a molecular weight of 385.48 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole is sourced from PubChem (CID 54073436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).