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

C46H28F6N6 — CID 88535004

IUPAC6-(trifluoromethyl)-9-[3-[6-[6-[3-[6-(trifluoromethyl)-3,4-dihydropyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole
SMILESFC(F)(F)c1ccc2c(c1)c1c(n2-c2cccc(-c3cccc(-c4cccc(-c5cccc(-n6c7ccc(C(F)(F)F)cc7c7ccncc76)c5)n4)n3)c2)C=NCC1
InChIInChI=1S/C46H28F6N6/c47-45(48,49)29-13-15-41-35(23-29)33-17-19-53-25-43(33)57(41)31-7-1-5-27(21-31)37-9-3-11-39(55-37)40-12-4-10-38(56-40)28-6-2-8-32(22-28)58-42-16-14-30(46(50,51)52)24-36(42)34-18-20-54-26-44(34)58/h1-17,19,21-26H,18,20H2
InChIKeyBUHYITUXOALLRJ-UHFFFAOYSA-N
MW778.76 g/mol
LogP11.93
Rot. Bonds5

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

6-(trifluoromethyl)-9-[3-[6-[6-[3-[6-(trifluoromethyl)-3,4-dihydropyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole (PubChem CID 88535004) has the molecular formula C46H28F6N6 and a molecular weight of 778.76 g/mol. Its IUPAC name is 6-(trifluoromethyl)-9-[3-[6-[6-[3-[6-(trifluoromethyl)-3,4-dihydropyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-(trifluoromethyl)-9-[3-[6-[6-[3-[6-(trifluoromethyl)-3,4-dihydropyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole
PubChem CID88535004
Molecular FormulaC46H28F6N6
Molecular Weight778.76 g/mol
Exact Mass778.23
IUPAC Name6-(trifluoromethyl)-9-[3-[6-[6-[3-[6-(trifluoromethyl)-3,4-dihydropyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole
SMILESFC(F)(F)c1ccc2c(c1)c1c(n2-c2cccc(-c3cccc(-c4cccc(-c5cccc(-n6c7ccc(C(F)(F)F)cc7c7ccncc76)c5)n4)n3)c2)C=NCC1
InChIInChI=1S/C46H28F6N6/c47-45(48,49)29-13-15-41-35(23-29)33-17-19-53-25-43(33)57(41)31-7-1-5-27(21-31)37-9-3-11-39(55-37)40-12-4-10-38(56-40)28-6-2-8-32(22-28)58-42-16-14-30(46(50,51)52)24-36(42)34-18-20-54-26-44(34)58/h1-17,19,21-26H,18,20H2
InChIKeyBUHYITUXOALLRJ-UHFFFAOYSA-N
XLogP11.93
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.76
LogP ≤ 511.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(trifluoromethyl)-9-[3-[6-[6-[3-[6-(trifluoromethyl)-3,4-dihydropyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-9-[3-[6-[6-[3-[6-(trifluoromethyl)-3,4-dihydropyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole?
The IUPAC name of 6-(trifluoromethyl)-9-[3-[6-[6-[3-[6-(trifluoromethyl)-3,4-dihydropyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole (CID 88535004) is 6-(trifluoromethyl)-9-[3-[6-[6-[3-[6-(trifluoromethyl)-3,4-dihydropyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole.
What is the SMILES notation for 6-(trifluoromethyl)-9-[3-[6-[6-[3-[6-(trifluoromethyl)-3,4-dihydropyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole?
The canonical SMILES for 6-(trifluoromethyl)-9-[3-[6-[6-[3-[6-(trifluoromethyl)-3,4-dihydropyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole is FC(F)(F)c1ccc2c(c1)c1c(n2-c2cccc(-c3cccc(-c4cccc(-c5cccc(-n6c7ccc(C(F)(F)F)cc7c7ccncc76)c5)n4)n3)c2)C=NCC1.
What is the InChIKey of 6-(trifluoromethyl)-9-[3-[6-[6-[3-[6-(trifluoromethyl)-3,4-dihydropyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole?
The InChIKey is BUHYITUXOALLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28F6N6/c47-45(48,49)29-13-15-41-35(23-29)33-17-19-53-25-43(33)57(41)31-7-1-5-27(21-31)37-9-3-11-39(55-37)40-12-4-10-38(56-40)28-6-2-8-32(22-28)58-42-16-14-30(46(50,51)52)24-36(42)34-18-20-54-26-44(34)58/h1-17,19,21-26H,18,20H2.
What are the key properties of 6-(trifluoromethyl)-9-[3-[6-[6-[3-[6-(trifluoromethyl)-3,4-dihydropyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole?
6-(trifluoromethyl)-9-[3-[6-[6-[3-[6-(trifluoromethyl)-3,4-dihydropyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole has a molecular weight of 778.76 g/mol, XLogP of 11.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-9-[3-[6-[6-[3-[6-(trifluoromethyl)-3,4-dihydropyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole is sourced from PubChem (CID 88535004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).