4,12-bis(9-phenyl-1,2-dihydro-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-1,2-dihydrotriazino[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C249H147N51O6 — CID 157242001

IUPAC4,12-bis(9-phenyl-1,2-dihydro-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-1,2-dihydrotriazino[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESC1=NNNc2c1c1ccc(-c3cnc4oc5ncc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5c4c3)cc1n2-c1ccccc1.C1=Nc2c(n(-c3ccccc3)c3cc(-c4cc5c(cn4)oc4cnc(-c6ccc7c8c(n(-c9ccccc9)c7c6)NNC=N8)cc45)ccc23)NN1.c1ccc(-n2c3cc(-c4cc5c(cn4)oc4cnc(-c6ccc7c8nncnc8n(-c8ccccc8)c7c6)cc45)ccc3c3nncnc32)cc1.c1ccc(-n2c3cc(-c4cc5c(cn4)oc4cnc(-c6ccc7c8nnncc8n(-c8ccccc8)c7c6)cc45)ccc3c3nnncc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cnc5oc6ncc(-c7ccc8c9ncnnc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cnc5oc6ncc(-c7ccc8c9nncnc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1
InChIInChI=1S/C43H27N7O.2C43H25N7O.2C40H22N10O.C40H26N10O/c1-3-9-30(10-4-1)49-38-14-8-7-13-32(38)33-17-15-26(21-39(33)49)28-19-35-36-20-29(24-45-43(36)51-42(35)44-23-28)27-16-18-34-37-25-46-48-47-41(37)50(40(34)22-27)31-11-5-2-6-12-31;1-3-9-30(10-4-1)49-37-14-8-7-13-32(37)33-17-15-26(21-38(33)49)28-19-35-36-20-29(24-45-43(36)51-42(35)44-23-28)27-16-18-34-39(22-27)50(31-11-5-2-6-12-31)41-40(34)48-47-25-46-41;1-3-9-30(10-4-1)49-37-14-8-7-13-32(37)33-17-15-26(21-38(33)49)28-19-35-36-20-29(24-45-43(36)51-42(35)44-23-28)27-16-18-34-39(22-27)50(31-11-5-2-6-12-31)41-40(34)46-25-47-48-41;1-3-7-25(8-4-1)49-33-15-23(11-13-27(33)39-35(49)19-43-47-45-39)31-17-29-30-18-32(42-22-38(30)51-37(29)21-41-31)24-12-14-28-34(16-24)50(26-9-5-2-6-10-26)36-20-44-48-46-40(28)36;1-3-7-25(8-4-1)49-33-15-23(11-13-27(33)37-39(49)43-21-45-47-37)31-17-29-30-18-32(42-20-36(30)51-35(29)19-41-31)24-12-14-28-34(16-24)50(26-9-5-2-6-10-26)40-38(28)48-46-22-44-40;1-3-7-25(8-4-1)49-33-15-23(11-13-27(33)37-39(49)47-45-21-43-37)31-17-29-30-18-32(42-20-36(30)51-35(29)19-41-31)24-12-14-28-34(16-24)50(26-9-5-2-6-10-26)40-38(28)44-22-46-48-40/h1-25,47-48H;2*1-25H;2*1-22H;1-22,47-48H,(H,43,45)(H,44,46)
InChIKeyAVIBDVHEHYYEJC-UHFFFAOYSA-N
MW3949.27 g/mol
LogP55.52
Rot. Bonds24

About 4,12-bis(9-phenyl-1,2-dihydro-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-1,2-dihydrotriazino[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4,12-bis(9-phenyl-1,2-dihydro-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-1,2-dihydrotriazino[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 157242001) has the molecular formula C249H147N51O6 and a molecular weight of 3949.27 g/mol. Its IUPAC name is 4,12-bis(9-phenyl-1,2-dihydro-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-1,2-dihydrotriazino[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name4,12-bis(9-phenyl-1,2-dihydro-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-1,2-dihydrotriazino[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID157242001
Molecular FormulaC249H147N51O6
Molecular Weight3949.27 g/mol
Exact Mass3946.28
IUPAC Name4,12-bis(9-phenyl-1,2-dihydro-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-1,2-dihydrotriazino[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESC1=NNNc2c1c1ccc(-c3cnc4oc5ncc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5c4c3)cc1n2-c1ccccc1.C1=Nc2c(n(-c3ccccc3)c3cc(-c4cc5c(cn4)oc4cnc(-c6ccc7c8c(n(-c9ccccc9)c7c6)NNC=N8)cc45)ccc23)NN1.c1ccc(-n2c3cc(-c4cc5c(cn4)oc4cnc(-c6ccc7c8nncnc8n(-c8ccccc8)c7c6)cc45)ccc3c3nncnc32)cc1.c1ccc(-n2c3cc(-c4cc5c(cn4)oc4cnc(-c6ccc7c8nnncc8n(-c8ccccc8)c7c6)cc45)ccc3c3nnncc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cnc5oc6ncc(-c7ccc8c9ncnnc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cnc5oc6ncc(-c7ccc8c9nncnc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1
InChIInChI=1S/C43H27N7O.2C43H25N7O.2C40H22N10O.C40H26N10O/c1-3-9-30(10-4-1)49-38-14-8-7-13-32(38)33-17-15-26(21-39(33)49)28-19-35-36-20-29(24-45-43(36)51-42(35)44-23-28)27-16-18-34-37-25-46-48-47-41(37)50(40(34)22-27)31-11-5-2-6-12-31;1-3-9-30(10-4-1)49-37-14-8-7-13-32(37)33-17-15-26(21-38(33)49)28-19-35-36-20-29(24-45-43(36)51-42(35)44-23-28)27-16-18-34-39(22-27)50(31-11-5-2-6-12-31)41-40(34)48-47-25-46-41;1-3-9-30(10-4-1)49-37-14-8-7-13-32(37)33-17-15-26(21-38(33)49)28-19-35-36-20-29(24-45-43(36)51-42(35)44-23-28)27-16-18-34-39(22-27)50(31-11-5-2-6-12-31)41-40(34)46-25-47-48-41;1-3-7-25(8-4-1)49-33-15-23(11-13-27(33)39-35(49)19-43-47-45-39)31-17-29-30-18-32(42-22-38(30)51-37(29)21-41-31)24-12-14-28-34(16-24)50(26-9-5-2-6-10-26)36-20-44-48-46-40(28)36;1-3-7-25(8-4-1)49-33-15-23(11-13-27(33)37-39(49)43-21-45-47-37)31-17-29-30-18-32(42-20-36(30)51-35(29)19-41-31)24-12-14-28-34(16-24)50(26-9-5-2-6-10-26)40-38(28)48-46-22-44-40;1-3-7-25(8-4-1)49-33-15-23(11-13-27(33)37-39(49)47-45-21-43-37)31-17-29-30-18-32(42-20-36(30)51-35(29)19-41-31)24-12-14-28-34(16-24)50(26-9-5-2-6-10-26)40-38(28)44-22-46-48-40/h1-25,47-48H;2*1-25H;2*1-22H;1-22,47-48H,(H,43,45)(H,44,46)
InChIKeyAVIBDVHEHYYEJC-UHFFFAOYSA-N
XLogP55.52
TPSA633.96 Ų
H-Bond Donors6
H-Bond Acceptors57
Rotatable Bonds24
Heavy Atoms306
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003949.27
LogP ≤ 555.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1057

Analyze 4,12-bis(9-phenyl-1,2-dihydro-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-1,2-dihydrotriazino[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

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N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
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7-Amino-4-[5-[2-[3-[4-[2-[7-amino-11-(methylcarbamoyl)-4-pyridin-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]-4-fluorophenyl]-1,3-oxazol-4-yl]-2-pyridinyl]-10-[2-[4-[2-fluoro-5-(1,3-oxazol-2-yl)phenyl]piperazin-1-yl]ethyl]-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylic acid
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7-(cyclopropylmethoxy)-4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carboxamide;[(3S,4S)-1-(7-hydroxyquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-3-methyl-1-[7-(4-methyl-1,3-oxazol-2-yl)quinolin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-3-methyl-1-[7-(1,2,4-triazol-1-yl)quinolin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
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[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone;(3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone;N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 157093503
methyl 2-[[2-fluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-(1H-indazol-6-ylmethoxy)-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(2-methoxy-3-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(1R)-1-phenylethoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(1S)-1-phenylethoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 157634809
5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[2-(4-methylphenyl)-1,3-oxazol-5-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(2-methoxy-5H-cyclopenta[b]pyridin-7-yl)-4-[2-(4-methylphenyl)-1,3-oxazol-5-yl]pentan-2-one;7-[5-(3,5-difluorophenyl)-4-[2-(4-methylphenyl)-1,3-oxazol-5-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;5-(3,5-difluorophenyl)-4-[2-(4-methylphenyl)-1,3-oxazol-5-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
CID 157728060
CID 158002486
CID 158002486
12-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-11-methyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158180516
1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine;1-methoxy-N,N-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indol-9-amine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-[1]benzofuro[2,3-b]pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole
CID 158183431
2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 158469132

Frequently Asked Questions

What is the IUPAC name of 4,12-bis(9-phenyl-1,2-dihydro-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-1,2-dihydrotriazino[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 4,12-bis(9-phenyl-1,2-dihydro-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-1,2-dihydrotriazino[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 157242001) is 4,12-bis(9-phenyl-1,2-dihydro-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-1,2-dihydrotriazino[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 4,12-bis(9-phenyl-1,2-dihydro-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-1,2-dihydrotriazino[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 4,12-bis(9-phenyl-1,2-dihydro-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-1,2-dihydrotriazino[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is C1=NNNc2c1c1ccc(-c3cnc4oc5ncc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5c4c3)cc1n2-c1ccccc1.C1=Nc2c(n(-c3ccccc3)c3cc(-c4cc5c(cn4)oc4cnc(-c6ccc7c8c(n(-c9ccccc9)c7c6)NNC=N8)cc45)ccc23)NN1.c1ccc(-n2c3cc(-c4cc5c(cn4)oc4cnc(-c6ccc7c8nncnc8n(-c8ccccc8)c7c6)cc45)ccc3c3nncnc32)cc1.c1ccc(-n2c3cc(-c4cc5c(cn4)oc4cnc(-c6ccc7c8nnncc8n(-c8ccccc8)c7c6)cc45)ccc3c3nnncc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cnc5oc6ncc(-c7ccc8c9ncnnc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cnc5oc6ncc(-c7ccc8c9nncnc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1.
What is the InChIKey of 4,12-bis(9-phenyl-1,2-dihydro-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-1,2-dihydrotriazino[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is AVIBDVHEHYYEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N7O.2C43H25N7O.2C40H22N10O.C40H26N10O/c1-3-9-30(10-4-1)49-38-14-8-7-13-32(38)33-17-15-26(21-39(33)49)28-19-35-36-20-29(24-45-43(36)51-42(35)44-23-28)27-16-18-34-37-25-46-48-47-41(37)50(40(34)22-27)31-11-5-2-6-12-31;1-3-9-30(10-4-1)49-37-14-8-7-13-32(37)33-17-15-26(21-38(33)49)28-19-35-36-20-29(24-45-43(36)51-42(35)44-23-28)27-16-18-34-39(22-27)50(31-11-5-2-6-12-31)41-40(34)48-47-25-46-41;1-3-9-30(10-4-1)49-37-14-8-7-13-32(37)33-17-15-26(21-38(33)49)28-19-35-36-20-29(24-45-43(36)51-42(35)44-23-28)27-16-18-34-39(22-27)50(31-11-5-2-6-12-31)41-40(34)46-25-47-48-41;1-3-7-25(8-4-1)49-33-15-23(11-13-27(33)39-35(49)19-43-47-45-39)31-17-29-30-18-32(42-22-38(30)51-37(29)21-41-31)24-12-14-28-34(16-24)50(26-9-5-2-6-10-26)36-20-44-48-46-40(28)36;1-3-7-25(8-4-1)49-33-15-23(11-13-27(33)37-39(49)43-21-45-47-37)31-17-29-30-18-32(42-20-36(30)51-35(29)19-41-31)24-12-14-28-34(16-24)50(26-9-5-2-6-10-26)40-38(28)48-46-22-44-40;1-3-7-25(8-4-1)49-33-15-23(11-13-27(33)37-39(49)47-45-21-43-37)31-17-29-30-18-32(42-20-36(30)51-35(29)19-41-31)24-12-14-28-34(16-24)50(26-9-5-2-6-10-26)40-38(28)44-22-46-48-40/h1-25,47-48H;2*1-25H;2*1-22H;1-22,47-48H,(H,43,45)(H,44,46).
What are the key properties of 4,12-bis(9-phenyl-1,2-dihydro-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-1,2-dihydrotriazino[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
4,12-bis(9-phenyl-1,2-dihydro-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-1,2-dihydrotriazino[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 3949.27 g/mol, XLogP of 55.52, 24 rotatable bonds, 6 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 4,12-bis(9-phenyl-1,2-dihydro-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-1,2-dihydrotriazino[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 157242001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).