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

C46H29F3N6 — CID 58099086

IUPAC6-methyl-9-[3-[6-[6-[3-[6-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole
SMILESCc1ccc2c(c1)c1ccncc1n2-c1cccc(-c2cccc(-c3cccc(-c4cccc(-n5c6ccc(C(F)(F)F)cc6c6ccncc65)c4)n3)n2)c1
InChIInChI=1S/C46H29F3N6/c1-28-14-16-42-36(22-28)34-18-20-50-26-44(34)54(42)32-8-2-6-29(23-32)38-10-4-12-40(52-38)41-13-5-11-39(53-41)30-7-3-9-33(24-30)55-43-17-15-31(46(47,48)49)25-37(43)35-19-21-51-27-45(35)55/h2-27H,1H3
InChIKeyNELDKIPOSBZZJF-UHFFFAOYSA-N
MW722.77 g/mol
LogP11.79
Rot. Bonds5

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

6-methyl-9-[3-[6-[6-[3-[6-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole (PubChem CID 58099086) has the molecular formula C46H29F3N6 and a molecular weight of 722.77 g/mol. Its IUPAC name is 6-methyl-9-[3-[6-[6-[3-[6-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-methyl-9-[3-[6-[6-[3-[6-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole
PubChem CID58099086
Molecular FormulaC46H29F3N6
Molecular Weight722.77 g/mol
Exact Mass722.24
IUPAC Name6-methyl-9-[3-[6-[6-[3-[6-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole
SMILESCc1ccc2c(c1)c1ccncc1n2-c1cccc(-c2cccc(-c3cccc(-c4cccc(-n5c6ccc(C(F)(F)F)cc6c6ccncc65)c4)n3)n2)c1
InChIInChI=1S/C46H29F3N6/c1-28-14-16-42-36(22-28)34-18-20-50-26-44(34)54(42)32-8-2-6-29(23-32)38-10-4-12-40(52-38)41-13-5-11-39(53-41)30-7-3-9-33(24-30)55-43-17-15-31(46(47,48)49)25-37(43)35-19-21-51-27-45(35)55/h2-27H,1H3
InChIKeyNELDKIPOSBZZJF-UHFFFAOYSA-N
XLogP11.79
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.77
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-methyl-9-[3-[6-[6-[3-[6-(trifluoromethyl)pyrido[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-methyl-9-[3-[6-[6-[3-[6-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole?
The IUPAC name of 6-methyl-9-[3-[6-[6-[3-[6-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole (CID 58099086) is 6-methyl-9-[3-[6-[6-[3-[6-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole.
What is the SMILES notation for 6-methyl-9-[3-[6-[6-[3-[6-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole?
The canonical SMILES for 6-methyl-9-[3-[6-[6-[3-[6-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole is Cc1ccc2c(c1)c1ccncc1n2-c1cccc(-c2cccc(-c3cccc(-c4cccc(-n5c6ccc(C(F)(F)F)cc6c6ccncc65)c4)n3)n2)c1.
What is the InChIKey of 6-methyl-9-[3-[6-[6-[3-[6-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole?
The InChIKey is NELDKIPOSBZZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29F3N6/c1-28-14-16-42-36(22-28)34-18-20-50-26-44(34)54(42)32-8-2-6-29(23-32)38-10-4-12-40(52-38)41-13-5-11-39(53-41)30-7-3-9-33(24-30)55-43-17-15-31(46(47,48)49)25-37(43)35-19-21-51-27-45(35)55/h2-27H,1H3.
What are the key properties of 6-methyl-9-[3-[6-[6-[3-[6-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole?
6-methyl-9-[3-[6-[6-[3-[6-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole has a molecular weight of 722.77 g/mol, XLogP of 11.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-[3-[6-[6-[3-[6-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole is sourced from PubChem (CID 58099086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).