9-(3-fluorophenyl)-3,6-di(propan-2-yl)carbazole

C24H24FN — CID 154631744

IUPAC9-(3-fluorophenyl)-3,6-di(propan-2-yl)carbazole
SMILESCC(C)c1ccc2c(c1)c1cc(C(C)C)ccc1n2-c1cccc(F)c1
InChIInChI=1S/C24H24FN/c1-15(2)17-8-10-23-21(12-17)22-13-18(16(3)4)9-11-24(22)26(23)20-7-5-6-19(25)14-20/h5-16H,1-4H3
InChIKeyCPSWGDCKSWOYPR-UHFFFAOYSA-N
MW345.46 g/mol
LogP7.17
Rot. Bonds3

About 9-(3-fluorophenyl)-3,6-di(propan-2-yl)carbazole

9-(3-fluorophenyl)-3,6-di(propan-2-yl)carbazole (PubChem CID 154631744) has the molecular formula C24H24FN and a molecular weight of 345.46 g/mol. Its IUPAC name is 9-(3-fluorophenyl)-3,6-di(propan-2-yl)carbazole.

Molecular Properties

Compound Name9-(3-fluorophenyl)-3,6-di(propan-2-yl)carbazole
PubChem CID154631744
Molecular FormulaC24H24FN
Molecular Weight345.46 g/mol
Exact Mass345.19
IUPAC Name9-(3-fluorophenyl)-3,6-di(propan-2-yl)carbazole
SMILESCC(C)c1ccc2c(c1)c1cc(C(C)C)ccc1n2-c1cccc(F)c1
InChIInChI=1S/C24H24FN/c1-15(2)17-8-10-23-21(12-17)22-13-18(16(3)4)9-11-24(22)26(23)20-7-5-6-19(25)14-20/h5-16H,1-4H3
InChIKeyCPSWGDCKSWOYPR-UHFFFAOYSA-N
XLogP7.17
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.46
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-(3-fluorophenyl)-3,6-di(propan-2-yl)carbazole?
The IUPAC name of 9-(3-fluorophenyl)-3,6-di(propan-2-yl)carbazole (CID 154631744) is 9-(3-fluorophenyl)-3,6-di(propan-2-yl)carbazole.
What is the SMILES notation for 9-(3-fluorophenyl)-3,6-di(propan-2-yl)carbazole?
The canonical SMILES for 9-(3-fluorophenyl)-3,6-di(propan-2-yl)carbazole is CC(C)c1ccc2c(c1)c1cc(C(C)C)ccc1n2-c1cccc(F)c1.
What is the InChIKey of 9-(3-fluorophenyl)-3,6-di(propan-2-yl)carbazole?
The InChIKey is CPSWGDCKSWOYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN/c1-15(2)17-8-10-23-21(12-17)22-13-18(16(3)4)9-11-24(22)26(23)20-7-5-6-19(25)14-20/h5-16H,1-4H3.
What are the key properties of 9-(3-fluorophenyl)-3,6-di(propan-2-yl)carbazole?
9-(3-fluorophenyl)-3,6-di(propan-2-yl)carbazole has a molecular weight of 345.46 g/mol, XLogP of 7.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluorophenyl)-3,6-di(propan-2-yl)carbazole is sourced from PubChem (CID 154631744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).