5-[3-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-7-(trifluoromethyl)pyrido[4,3-b]indole

C38H23F3N4 — CID 59326067

IUPAC5-[3-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-7-(trifluoromethyl)pyrido[4,3-b]indole
SMILESFC(F)(F)c1ccc2c3cnccc3n(-c3cccc(-c4cc(-c5ccccn5)nc(-c5cccc6ccccc56)c4)c3)c2c1
InChIInChI=1S/C38H23F3N4/c39-38(40,41)27-14-15-31-32-23-42-18-16-36(32)45(37(31)22-27)28-10-5-9-25(19-28)26-20-34(44-35(21-26)33-13-3-4-17-43-33)30-12-6-8-24-7-1-2-11-29(24)30/h1-23H
InChIKeyPYNWIWJJGIHDLW-UHFFFAOYSA-N
MW592.62 g/mol
LogP10.14
Rot. Bonds4

About 5-[3-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-7-(trifluoromethyl)pyrido[4,3-b]indole

5-[3-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-7-(trifluoromethyl)pyrido[4,3-b]indole (PubChem CID 59326067) has the molecular formula C38H23F3N4 and a molecular weight of 592.62 g/mol. Its IUPAC name is 5-[3-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-7-(trifluoromethyl)pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[3-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-7-(trifluoromethyl)pyrido[4,3-b]indole
PubChem CID59326067
Molecular FormulaC38H23F3N4
Molecular Weight592.62 g/mol
Exact Mass592.19
IUPAC Name5-[3-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-7-(trifluoromethyl)pyrido[4,3-b]indole
SMILESFC(F)(F)c1ccc2c3cnccc3n(-c3cccc(-c4cc(-c5ccccn5)nc(-c5cccc6ccccc56)c4)c3)c2c1
InChIInChI=1S/C38H23F3N4/c39-38(40,41)27-14-15-31-32-23-42-18-16-36(32)45(37(31)22-27)28-10-5-9-25(19-28)26-20-34(44-35(21-26)33-13-3-4-17-43-33)30-12-6-8-24-7-1-2-11-29(24)30/h1-23H
InChIKeyPYNWIWJJGIHDLW-UHFFFAOYSA-N
XLogP10.14
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.62
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[3-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-7-(trifluoromethyl)pyrido[4,3-b]indole with MolForge

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Related Compounds

8-fluoro-5-(4-fluorophenyl)-2-(4-quinolin-4-ylbutyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 13900391
Ellipticine, 6-methyl
CID 97109
1-[[4-[6-[4-[(4-Aminoquinolin-1-ium-1-yl)methyl]phenyl]-2-pyridinyl]phenyl]methyl]quinolin-1-ium-4-amine
CID 10532785
1-[7-(4-amino-1-quinoliniumylmethyl)-9H-2-fluorenylmethyl]-4-quinoliniumamine
CID 10723455
9-Benzyl-2-(2-pyridin-2-yl-ethyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 20134447
1H-Indole-2-methanamine, 1-methyl-N-[3-[3-(phenylmethyl)-8-(trifluoromethyl)-4-quinolinyl]phenyl]-
CID 45272392
1H-Indole-7-methanamine, 1-methyl-N-[3-[3-(phenylmethyl)-8-(trifluoromethyl)-4-quinolinyl]phenyl]-
CID 45273258
4-(3,3-Dimethyl-6-(4-pyridinyl)-2,3-dihydro-1H-indol-1-yl)-7-fluoro-3-methyl-2-(2-pyridinyl)quinoline
CID 50940108
2-methyl-5-(2-(pyridin-2-yl)ethyl)-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 54582940
2-methyl-5-(2-(pyridin-4-yl)ethyl)-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 54585847
3-(4-Fluorophenyl)-1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]indole
CID 56642433
Benzo(g)quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis-
CID 157284

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-7-(trifluoromethyl)pyrido[4,3-b]indole?
The IUPAC name of 5-[3-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-7-(trifluoromethyl)pyrido[4,3-b]indole (CID 59326067) is 5-[3-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-7-(trifluoromethyl)pyrido[4,3-b]indole.
What is the SMILES notation for 5-[3-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-7-(trifluoromethyl)pyrido[4,3-b]indole?
The canonical SMILES for 5-[3-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-7-(trifluoromethyl)pyrido[4,3-b]indole is FC(F)(F)c1ccc2c3cnccc3n(-c3cccc(-c4cc(-c5ccccn5)nc(-c5cccc6ccccc56)c4)c3)c2c1.
What is the InChIKey of 5-[3-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-7-(trifluoromethyl)pyrido[4,3-b]indole?
The InChIKey is PYNWIWJJGIHDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23F3N4/c39-38(40,41)27-14-15-31-32-23-42-18-16-36(32)45(37(31)22-27)28-10-5-9-25(19-28)26-20-34(44-35(21-26)33-13-3-4-17-43-33)30-12-6-8-24-7-1-2-11-29(24)30/h1-23H.
What are the key properties of 5-[3-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-7-(trifluoromethyl)pyrido[4,3-b]indole?
5-[3-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-7-(trifluoromethyl)pyrido[4,3-b]indole has a molecular weight of 592.62 g/mol, XLogP of 10.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-7-(trifluoromethyl)pyrido[4,3-b]indole is sourced from PubChem (CID 59326067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).