9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,4-b]indole

C39H23F3N6 — CID 59480411

IUPAC9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,4-b]indole
SMILESFC(F)(F)c1cc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)cc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)c1
InChIInChI=1S/C39H23F3N6/c40-39(41,42)26-20-24(31-9-5-13-37(45-31)47-33-11-3-1-7-27(33)29-15-17-43-22-35(29)47)19-25(21-26)32-10-6-14-38(46-32)48-34-12-4-2-8-28(34)30-16-18-44-23-36(30)48/h1-23H
InChIKeyDZXIGBWPBLNUNZ-UHFFFAOYSA-N
MW632.65 g/mol
LogP9.81
Rot. Bonds4

About 9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,4-b]indole

9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,4-b]indole (PubChem CID 59480411) has the molecular formula C39H23F3N6 and a molecular weight of 632.65 g/mol. Its IUPAC name is 9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,4-b]indole
PubChem CID59480411
Molecular FormulaC39H23F3N6
Molecular Weight632.65 g/mol
Exact Mass632.19
IUPAC Name9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,4-b]indole
SMILESFC(F)(F)c1cc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)cc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)c1
InChIInChI=1S/C39H23F3N6/c40-39(41,42)26-20-24(31-9-5-13-37(45-31)47-33-11-3-1-7-27(33)29-15-17-43-22-35(29)47)19-25(21-26)32-10-6-14-38(46-32)48-34-12-4-2-8-28(34)30-16-18-44-23-36(30)48/h1-23H
InChIKeyDZXIGBWPBLNUNZ-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 9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,4-b]indole?
The IUPAC name of 9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,4-b]indole (CID 59480411) is 9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,4-b]indole.
What is the SMILES notation for 9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,4-b]indole?
The canonical SMILES for 9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,4-b]indole is FC(F)(F)c1cc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)cc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)c1.
What is the InChIKey of 9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,4-b]indole?
The InChIKey is DZXIGBWPBLNUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23F3N6/c40-39(41,42)26-20-24(31-9-5-13-37(45-31)47-33-11-3-1-7-27(33)29-15-17-43-22-35(29)47)19-25(21-26)32-10-6-14-38(46-32)48-34-12-4-2-8-28(34)30-16-18-44-23-36(30)48/h1-23H.
What are the key properties of 9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,4-b]indole?
9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,4-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 9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,4-b]indole is sourced from PubChem (CID 59480411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).