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

C26H24FNO — CID 19384558

IUPAC5-[(2-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole
SMILESFc1ccccc1CC1C=CC(OCc2ccccc2)=C2N=C3CCCCC3=C21
InChIInChI=1S/C26H24FNO/c27-22-12-6-4-10-19(22)16-20-14-15-24(29-17-18-8-2-1-3-9-18)26-25(20)21-11-5-7-13-23(21)28-26/h1-4,6,8-10,12,14-15,20H,5,7,11,13,16-17H2
InChIKeyLVCVPKWOUGVHMO-UHFFFAOYSA-N
MW385.48 g/mol
LogP6.31
Rot. Bonds5

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

5-[(2-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole (PubChem CID 19384558) has the molecular formula C26H24FNO and a molecular weight of 385.48 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole
PubChem CID19384558
Molecular FormulaC26H24FNO
Molecular Weight385.48 g/mol
Exact Mass385.18
IUPAC Name5-[(2-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole
SMILESFc1ccccc1CC1C=CC(OCc2ccccc2)=C2N=C3CCCCC3=C21
InChIInChI=1S/C26H24FNO/c27-22-12-6-4-10-19(22)16-20-14-15-24(29-17-18-8-2-1-3-9-18)26-25(20)21-11-5-7-13-23(21)28-26/h1-4,6,8-10,12,14-15,20H,5,7,11,13,16-17H2
InChIKeyLVCVPKWOUGVHMO-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-[(2-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole (CID 19384558) is 5-[(2-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole is Fc1ccccc1CC1C=CC(OCc2ccccc2)=C2N=C3CCCCC3=C21.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole?
The InChIKey is LVCVPKWOUGVHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO/c27-22-12-6-4-10-19(22)16-20-14-15-24(29-17-18-8-2-1-3-9-18)26-25(20)21-11-5-7-13-23(21)28-26/h1-4,6,8-10,12,14-15,20H,5,7,11,13,16-17H2.
What are the key properties of 5-[(2-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole?
5-[(2-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-[(2-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole is sourced from PubChem (CID 19384558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).