5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole

C39H23F3N6 — CID 59480370

IUPAC5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole
SMILESFC(F)(F)c1cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)c1
InChIInChI=1S/C39H23F3N6/c40-39(41,42)26-22-24(29-11-5-17-35(45-29)47-31-13-3-1-9-27(31)37-33(47)15-7-19-43-37)21-25(23-26)30-12-6-18-36(46-30)48-32-14-4-2-10-28(32)38-34(48)16-8-20-44-38/h1-23H
InChIKeyBHDVCFFVCFHLPJ-UHFFFAOYSA-N
MW632.65 g/mol
LogP9.81
Rot. Bonds4

About 5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole

5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole (PubChem CID 59480370) has the molecular formula C39H23F3N6 and a molecular weight of 632.65 g/mol. Its IUPAC name is 5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole
PubChem CID59480370
Molecular FormulaC39H23F3N6
Molecular Weight632.65 g/mol
Exact Mass632.19
IUPAC Name5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole
SMILESFC(F)(F)c1cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)c1
InChIInChI=1S/C39H23F3N6/c40-39(41,42)26-22-24(29-11-5-17-35(45-29)47-31-13-3-1-9-27(31)37-33(47)15-7-19-43-37)21-25(23-26)30-12-6-18-36(46-30)48-32-14-4-2-10-28(32)38-34(48)16-8-20-44-38/h1-23H
InChIKeyBHDVCFFVCFHLPJ-UHFFFAOYSA-N
XLogP9.81
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.65
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole?
The IUPAC name of 5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole (CID 59480370) is 5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole?
The canonical SMILES for 5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole is FC(F)(F)c1cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)c1.
What is the InChIKey of 5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole?
The InChIKey is BHDVCFFVCFHLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23F3N6/c40-39(41,42)26-22-24(29-11-5-17-35(45-29)47-31-13-3-1-9-27(31)37-33(47)15-7-19-43-37)21-25(23-26)30-12-6-18-36(46-30)48-32-14-4-2-10-28(32)38-34(48)16-8-20-44-38/h1-23H.
What are the key properties of 5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole?
5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole has a molecular weight of 632.65 g/mol, XLogP of 9.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole is sourced from PubChem (CID 59480370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).