5-[(3-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole

C26H24FNO — CID 19384593

IUPAC5-[(3-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole
SMILESFc1cccc(CC2C=CC(OCc3ccccc3)=C3N=C4CCCCC4=C32)c1
InChIInChI=1S/C26H24FNO/c27-21-10-6-9-19(16-21)15-20-13-14-24(29-17-18-7-2-1-3-8-18)26-25(20)22-11-4-5-12-23(22)28-26/h1-3,6-10,13-14,16,20H,4-5,11-12,15,17H2
InChIKeyBXOZXKXXELNQDD-UHFFFAOYSA-N
MW385.48 g/mol
LogP6.31
Rot. Bonds5

About 5-[(3-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole

5-[(3-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole (PubChem CID 19384593) has the molecular formula C26H24FNO and a molecular weight of 385.48 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole
PubChem CID19384593
Molecular FormulaC26H24FNO
Molecular Weight385.48 g/mol
Exact Mass385.18
IUPAC Name5-[(3-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole
SMILESFc1cccc(CC2C=CC(OCc3ccccc3)=C3N=C4CCCCC4=C32)c1
InChIInChI=1S/C26H24FNO/c27-21-10-6-9-19(16-21)15-20-13-14-24(29-17-18-7-2-1-3-8-18)26-25(20)22-11-4-5-12-23(22)28-26/h1-3,6-10,13-14,16,20H,4-5,11-12,15,17H2
InChIKeyBXOZXKXXELNQDD-UHFFFAOYSA-N
XLogP6.31
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.48
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole (CID 19384593) is 5-[(3-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole is Fc1cccc(CC2C=CC(OCc3ccccc3)=C3N=C4CCCCC4=C32)c1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole?
The InChIKey is BXOZXKXXELNQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO/c27-21-10-6-9-19(16-21)15-20-13-14-24(29-17-18-7-2-1-3-8-18)26-25(20)22-11-4-5-12-23(22)28-26/h1-3,6-10,13-14,16,20H,4-5,11-12,15,17H2.
What are the key properties of 5-[(3-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole?
5-[(3-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole has a molecular weight of 385.48 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole is sourced from PubChem (CID 19384593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).