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

C229H141F6N37 — CID 162010877

IUPAC5-[6-[3-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyridazino[4,5-b]indole;5-[6-[2-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,4-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;9-[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.FC(F)(F)c1cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)c1.c1cc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)cc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)c1.c1cc(-c2cccc(-n3c4ccccc4c4cnccc43)n2)cc(-c2cccc(-n3c4ccccc4c4cnncc43)n2)c1.c1cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)c1.c1cc(-c2ccccc2-c2cccc(-n3c4ccccc4c4ncccc43)n2)nc(-n2c3ccccc3c3ncccc32)c1
InChIInChI=1S/2C39H23F3N6.3C38H24N6.C37H23N7/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;40-39(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;1-3-16-31-27(12-1)37-33(18-8-22-39-37)43(31)35-20-6-14-29(41-35)25-10-5-11-26(24-25)30-15-7-21-36(42-30)44-32-17-4-2-13-28(32)38-34(44)19-9-23-40-38;1-3-14-33-27(10-1)29-18-20-39-23-35(29)43(33)37-16-6-12-31(41-37)25-8-5-9-26(22-25)32-13-7-17-38(42-32)44-34-15-4-2-11-28(34)30-19-21-40-24-36(30)44;1-2-12-26(30-16-8-22-36(42-30)44-32-18-6-4-14-28(32)38-34(44)20-10-24-40-38)25(11-1)29-15-7-21-35(41-29)43-31-17-5-3-13-27(31)37-33(43)19-9-23-39-37;1-3-14-32-26(10-1)28-21-38-19-18-34(28)43(32)36-16-6-12-30(41-36)24-8-5-9-25(20-24)31-13-7-17-37(42-31)44-33-15-4-2-11-27(33)29-22-39-40-23-35(29)44/h2*1-23H;3*1-24H;1-23H
InChIKeyYTLLZFOIIJDOED-UHFFFAOYSA-N
MW3524.89 g/mol
LogP54.20
Rot. Bonds24

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

5-[6-[3-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyridazino[4,5-b]indole;5-[6-[2-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,4-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;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 162010877) has the molecular formula C229H141F6N37 and a molecular weight of 3524.89 g/mol. Its IUPAC name is 5-[6-[3-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyridazino[4,5-b]indole;5-[6-[2-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,4-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;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 Name5-[6-[3-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyridazino[4,5-b]indole;5-[6-[2-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,4-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;9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,4-b]indole
PubChem CID162010877
Molecular FormulaC229H141F6N37
Molecular Weight3524.89 g/mol
Exact Mass3522.21
IUPAC Name5-[6-[3-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyridazino[4,5-b]indole;5-[6-[2-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,4-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;9-[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.FC(F)(F)c1cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)c1.c1cc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)cc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)c1.c1cc(-c2cccc(-n3c4ccccc4c4cnccc43)n2)cc(-c2cccc(-n3c4ccccc4c4cnncc43)n2)c1.c1cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)c1.c1cc(-c2ccccc2-c2cccc(-n3c4ccccc4c4ncccc43)n2)nc(-n2c3ccccc3c3ncccc32)c1
InChIInChI=1S/2C39H23F3N6.3C38H24N6.C37H23N7/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;40-39(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;1-3-16-31-27(12-1)37-33(18-8-22-39-37)43(31)35-20-6-14-29(41-35)25-10-5-11-26(24-25)30-15-7-21-36(42-30)44-32-17-4-2-13-28(32)38-34(44)19-9-23-40-38;1-3-14-33-27(10-1)29-18-20-39-23-35(29)43(33)37-16-6-12-31(41-37)25-8-5-9-26(22-25)32-13-7-17-38(42-32)44-34-15-4-2-11-28(34)30-19-21-40-24-36(30)44;1-2-12-26(30-16-8-22-36(42-30)44-32-18-6-4-14-28(32)38-34(44)20-10-24-40-38)25(11-1)29-15-7-21-35(41-29)43-31-17-5-3-13-27(31)37-33(43)19-9-23-39-37;1-3-14-32-26(10-1)28-21-38-19-18-34(28)43(32)36-16-6-12-30(41-36)24-8-5-9-25(20-24)31-13-7-17-37(42-31)44-33-15-4-2-11-27(33)29-22-39-40-23-35(29)44/h2*1-23H;3*1-24H;1-23H
InChIKeyYTLLZFOIIJDOED-UHFFFAOYSA-N
XLogP54.20
TPSA381.41 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds24
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003524.89
LogP ≤ 554.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

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

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Launch Full Analysis

Related Compounds

Bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(iridium);bis(1-phenylisoquinoline);bis(2-phenylpyrazine)
CID 59010556
5-[6-[3-(6-Pyrido[3,2-b]indol-5-ylpyridin-2-yl)-5-(trifluoromethyl)phenyl]pyridin-2-yl]pyrido[3,2-b]indole
CID 59480370
9-[6-[3-(6-Pyrido[3,4-b]indol-9-ylpyridin-2-yl)-5-(trifluoromethyl)phenyl]pyridin-2-yl]pyrido[3,4-b]indole
CID 59480411
2'-(1H-pyrazol-1-yl)-9-(4-(trifluoromethyl)pyridin-2-yl)-9H-2,9'-bicarbazole
CID 86343027
1,2-Bis[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-1,2-bis[8-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine
CID 87577660
2-Methyl-1-[2-[2-[6-phenyl-2-(2-phenylphenyl)-3-pyridinyl]phenyl]phenyl]benzimidazole;3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine
CID 91366751
12-[2-[7,8-Diethyl-7-methyl-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-yl]ethyl]-16-methyl-4,9,16-triaza-11-azoniahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 123631446
12-[2-[7,8-Diethyl-7-methyl-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-yl]ethyl]-22-ethyl-6,9,22-triaza-11-azoniahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 123704958
7,8-Diethyl-8-methyl-7-[2-[9-methyl-3-(5-methylpyrido[2,3-b]pyrazin-5-ium-6-yl)carbazol-2-yl]ethyl]-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene
CID 123746536
9,9-Diethyl-18'-phenyl-4-(trifluoromethyl)spiro[5,6-diaza-10-azoniatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaene-7,13'-6,9,18-triaza-11-azoniahexacyclo[12.11.0.02,11.05,10.017,25.019,24]pentacosa-1(14),2(11),3,5,7,9,15,17(25),19,21,23-undecaene]
CID 123764249
4-[3-[3-[(4-fluorophenyl)methyl]-1-methylpyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-6-[2-methyl-5-[1-[2-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]triazol-4-yl]phenyl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 123831832
(NE)-N-[1-[6-[4-[[(1R)-1-[6-[4-[(2S)-2-amino-2-[6-[1-[6-(trifluoromethyl)pyridin-2-yl]indazol-6-yl]pyridin-2-yl]ethyl]-1-[6-(trifluoromethyl)pyridin-2-yl]indazol-6-yl]pyridin-2-yl]ethyl]amino]-1-[6-(trifluoromethyl)pyridin-2-yl]indazol-6-yl]pyridin-2-yl]ethylidene]hydroxylamine
CID 137243942

Frequently Asked Questions

What is the IUPAC name of 5-[6-[3-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyridazino[4,5-b]indole;5-[6-[2-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,4-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;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 5-[6-[3-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyridazino[4,5-b]indole;5-[6-[2-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,4-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;9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,4-b]indole (CID 162010877) is 5-[6-[3-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyridazino[4,5-b]indole;5-[6-[2-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,4-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;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 5-[6-[3-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyridazino[4,5-b]indole;5-[6-[2-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,4-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;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 5-[6-[3-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyridazino[4,5-b]indole;5-[6-[2-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,4-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;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.FC(F)(F)c1cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)c1.c1cc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)cc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)c1.c1cc(-c2cccc(-n3c4ccccc4c4cnccc43)n2)cc(-c2cccc(-n3c4ccccc4c4cnncc43)n2)c1.c1cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)c1.c1cc(-c2ccccc2-c2cccc(-n3c4ccccc4c4ncccc43)n2)nc(-n2c3ccccc3c3ncccc32)c1.
What is the InChIKey of 5-[6-[3-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyridazino[4,5-b]indole;5-[6-[2-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,4-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;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 YTLLZFOIIJDOED-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H23F3N6.3C38H24N6.C37H23N7/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;40-39(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;1-3-16-31-27(12-1)37-33(18-8-22-39-37)43(31)35-20-6-14-29(41-35)25-10-5-11-26(24-25)30-15-7-21-36(42-30)44-32-17-4-2-13-28(32)38-34(44)19-9-23-40-38;1-3-14-33-27(10-1)29-18-20-39-23-35(29)43(33)37-16-6-12-31(41-37)25-8-5-9-26(22-25)32-13-7-17-38(42-32)44-34-15-4-2-11-28(34)30-19-21-40-24-36(30)44;1-2-12-26(30-16-8-22-36(42-30)44-32-18-6-4-14-28(32)38-34(44)20-10-24-40-38)25(11-1)29-15-7-21-35(41-29)43-31-17-5-3-13-27(31)37-33(43)19-9-23-39-37;1-3-14-32-26(10-1)28-21-38-19-18-34(28)43(32)36-16-6-12-30(41-36)24-8-5-9-25(20-24)31-13-7-17-37(42-31)44-33-15-4-2-11-27(33)29-22-39-40-23-35(29)44/h2*1-23H;3*1-24H;1-23H.
What are the key properties of 5-[6-[3-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyridazino[4,5-b]indole;5-[6-[2-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,4-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;9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,4-b]indole?
5-[6-[3-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyridazino[4,5-b]indole;5-[6-[2-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,4-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;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 3524.89 g/mol, XLogP of 54.20, 24 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyridazino[4,5-b]indole;5-[6-[2-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,4-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;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 162010877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).