3-(3-ethyl-5-methylphenyl)-6-[3-ethyl-5-(trifluoromethyl)phenyl]-9-[2-(1,8-naphthyridin-4-yl)phenyl]carbazole

C44H34F3N3 — CID 170283623

IUPAC3-(3-ethyl-5-methylphenyl)-6-[3-ethyl-5-(trifluoromethyl)phenyl]-9-[2-(1,8-naphthyridin-4-yl)phenyl]carbazole
SMILESCCc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(CC)cc(C(F)(F)F)c4)ccc2n3-c2ccccc2-c2ccnc3ncccc23)c1
InChIInChI=1S/C44H34F3N3/c1-4-28-19-27(3)20-32(21-28)30-12-14-41-38(25-30)39-26-31(33-22-29(5-2)23-34(24-33)44(45,46)47)13-15-42(39)50(41)40-11-7-6-9-36(40)35-16-18-49-43-37(35)10-8-17-48-43/h6-26H,4-5H2,1-3H3
InChIKeyFNMADKFSOVRBFL-UHFFFAOYSA-N
MW661.77 g/mol
LogP12.18
Rot. Bonds6

About 3-(3-ethyl-5-methylphenyl)-6-[3-ethyl-5-(trifluoromethyl)phenyl]-9-[2-(1,8-naphthyridin-4-yl)phenyl]carbazole

3-(3-ethyl-5-methylphenyl)-6-[3-ethyl-5-(trifluoromethyl)phenyl]-9-[2-(1,8-naphthyridin-4-yl)phenyl]carbazole (PubChem CID 170283623) has the molecular formula C44H34F3N3 and a molecular weight of 661.77 g/mol. Its IUPAC name is 3-(3-ethyl-5-methylphenyl)-6-[3-ethyl-5-(trifluoromethyl)phenyl]-9-[2-(1,8-naphthyridin-4-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-(3-ethyl-5-methylphenyl)-6-[3-ethyl-5-(trifluoromethyl)phenyl]-9-[2-(1,8-naphthyridin-4-yl)phenyl]carbazole
PubChem CID170283623
Molecular FormulaC44H34F3N3
Molecular Weight661.77 g/mol
Exact Mass661.27
IUPAC Name3-(3-ethyl-5-methylphenyl)-6-[3-ethyl-5-(trifluoromethyl)phenyl]-9-[2-(1,8-naphthyridin-4-yl)phenyl]carbazole
SMILESCCc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(CC)cc(C(F)(F)F)c4)ccc2n3-c2ccccc2-c2ccnc3ncccc23)c1
InChIInChI=1S/C44H34F3N3/c1-4-28-19-27(3)20-32(21-28)30-12-14-41-38(25-30)39-26-31(33-22-29(5-2)23-34(24-33)44(45,46)47)13-15-42(39)50(41)40-11-7-6-9-36(40)35-16-18-49-43-37(35)10-8-17-48-43/h6-26H,4-5H2,1-3H3
InChIKeyFNMADKFSOVRBFL-UHFFFAOYSA-N
XLogP12.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.77
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-5-methylphenyl)-6-[3-ethyl-5-(trifluoromethyl)phenyl]-9-[2-(1,8-naphthyridin-4-yl)phenyl]carbazole?
The IUPAC name of 3-(3-ethyl-5-methylphenyl)-6-[3-ethyl-5-(trifluoromethyl)phenyl]-9-[2-(1,8-naphthyridin-4-yl)phenyl]carbazole (CID 170283623) is 3-(3-ethyl-5-methylphenyl)-6-[3-ethyl-5-(trifluoromethyl)phenyl]-9-[2-(1,8-naphthyridin-4-yl)phenyl]carbazole.
What is the SMILES notation for 3-(3-ethyl-5-methylphenyl)-6-[3-ethyl-5-(trifluoromethyl)phenyl]-9-[2-(1,8-naphthyridin-4-yl)phenyl]carbazole?
The canonical SMILES for 3-(3-ethyl-5-methylphenyl)-6-[3-ethyl-5-(trifluoromethyl)phenyl]-9-[2-(1,8-naphthyridin-4-yl)phenyl]carbazole is CCc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(CC)cc(C(F)(F)F)c4)ccc2n3-c2ccccc2-c2ccnc3ncccc23)c1.
What is the InChIKey of 3-(3-ethyl-5-methylphenyl)-6-[3-ethyl-5-(trifluoromethyl)phenyl]-9-[2-(1,8-naphthyridin-4-yl)phenyl]carbazole?
The InChIKey is FNMADKFSOVRBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34F3N3/c1-4-28-19-27(3)20-32(21-28)30-12-14-41-38(25-30)39-26-31(33-22-29(5-2)23-34(24-33)44(45,46)47)13-15-42(39)50(41)40-11-7-6-9-36(40)35-16-18-49-43-37(35)10-8-17-48-43/h6-26H,4-5H2,1-3H3.
What are the key properties of 3-(3-ethyl-5-methylphenyl)-6-[3-ethyl-5-(trifluoromethyl)phenyl]-9-[2-(1,8-naphthyridin-4-yl)phenyl]carbazole?
3-(3-ethyl-5-methylphenyl)-6-[3-ethyl-5-(trifluoromethyl)phenyl]-9-[2-(1,8-naphthyridin-4-yl)phenyl]carbazole has a molecular weight of 661.77 g/mol, XLogP of 12.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-5-methylphenyl)-6-[3-ethyl-5-(trifluoromethyl)phenyl]-9-[2-(1,8-naphthyridin-4-yl)phenyl]carbazole is sourced from PubChem (CID 170283623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).