4,12-bis(5-phenylpyrazino[2,3-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(5-phenylpyridazino[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenylpyrazino[2,3-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-phenylpyridazino[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-phenylpyrimido[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyridazino[4,5-b]indol-7-yl)-12-(9-phenylpyrimido[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

C258H150N42O6 — CID 157376649

IUPAC4,12-bis(5-phenylpyrazino[2,3-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(5-phenylpyridazino[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenylpyrazino[2,3-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-phenylpyridazino[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-phenylpyrimido[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyridazino[4,5-b]indol-7-yl)-12-(9-phenylpyrimido[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
SMILESc1ccc(-n2c3cc(-c4cnc5oc6ncc(-c7ccc8c9nccnc9n(-c9ccccc9)c8c7)cc6c5c4)ccc3c3nccnc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5oc6ccc(-c7ccc8c9ncncc9n(-c9ccccc9)c8c7)nc6c5n4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cnc5oc6ncc(-c7ccc8c9cnncc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cnc5oc6ncc(-c7ccc8c9nccnc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1.c1ccc(-n2c3cnncc3c3ccc(-c4cc5c(cn4)oc4cnc(-c6ccc7c8cnncc8n(-c8ccccc8)c7c6)cc45)cc32)cc1.c1ccc(-n2c3cnncc3c3ccc(-c4cnc5oc6ncc(-c7ccc8c9cncnc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1
InChIInChI=1S/3C44H26N6O.3C42H24N8O/c1-3-9-31(10-4-1)49-39-14-8-7-13-33(39)34-17-15-27(21-40(34)49)29-19-36-37-20-30(24-46-44(37)51-43(36)45-23-29)28-16-18-35-38-25-47-48-26-42(38)50(41(35)22-28)32-11-5-2-6-12-32;1-3-9-29(10-4-1)49-36-14-8-7-13-31(36)32-17-15-27(23-37(32)49)34-19-21-40-43(47-34)44-41(51-40)22-20-35(48-44)28-16-18-33-38(24-28)50(30-11-5-2-6-12-30)39-25-45-26-46-42(33)39;1-3-9-31(10-4-1)49-38-14-8-7-13-33(38)34-17-15-27(23-39(34)49)29-21-36-37-22-30(26-48-44(37)51-43(36)47-25-29)28-16-18-35-40(24-28)50(32-11-5-2-6-12-32)42-41(35)45-19-20-46-42;1-3-7-29(8-4-1)49-37-17-25(11-13-31(37)35-22-47-48-23-39(35)49)27-15-33-34-16-28(20-45-42(34)51-41(33)44-19-27)26-12-14-32-36-21-43-24-46-40(36)50(38(32)18-26)30-9-5-2-6-10-30;1-3-7-27(8-4-1)49-37-15-25(11-13-29(37)33-19-45-47-21-39(33)49)35-17-31-32-18-36(44-24-42(32)51-41(31)23-43-35)26-12-14-30-34-20-46-48-22-40(34)50(38(30)16-26)28-9-5-2-6-10-28;1-3-7-29(8-4-1)49-35-21-25(11-13-31(35)37-39(49)45-17-15-43-37)27-19-33-34-20-28(24-48-42(34)51-41(33)47-23-27)26-12-14-32-36(22-26)50(30-9-5-2-6-10-30)40-38(32)44-16-18-46-40/h3*1-26H;3*1-24H
InChIKeyBKKBNKOHHAJZLF-UHFFFAOYSA-N
MW3934.33 g/mol
LogP60.54
Rot. Bonds24

About 4,12-bis(5-phenylpyrazino[2,3-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(5-phenylpyridazino[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenylpyrazino[2,3-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-phenylpyridazino[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-phenylpyrimido[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyridazino[4,5-b]indol-7-yl)-12-(9-phenylpyrimido[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

4,12-bis(5-phenylpyrazino[2,3-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(5-phenylpyridazino[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenylpyrazino[2,3-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-phenylpyridazino[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-phenylpyrimido[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyridazino[4,5-b]indol-7-yl)-12-(9-phenylpyrimido[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 (PubChem CID 157376649) has the molecular formula C258H150N42O6 and a molecular weight of 3934.33 g/mol. Its IUPAC name is 4,12-bis(5-phenylpyrazino[2,3-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(5-phenylpyridazino[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenylpyrazino[2,3-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-phenylpyridazino[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-phenylpyrimido[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyridazino[4,5-b]indol-7-yl)-12-(9-phenylpyrimido[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.

Molecular Properties

Compound Name4,12-bis(5-phenylpyrazino[2,3-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(5-phenylpyridazino[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenylpyrazino[2,3-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-phenylpyridazino[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-phenylpyrimido[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyridazino[4,5-b]indol-7-yl)-12-(9-phenylpyrimido[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
PubChem CID157376649
Molecular FormulaC258H150N42O6
Molecular Weight3934.33 g/mol
Exact Mass3931.27
IUPAC Name4,12-bis(5-phenylpyrazino[2,3-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(5-phenylpyridazino[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenylpyrazino[2,3-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-phenylpyridazino[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-phenylpyrimido[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyridazino[4,5-b]indol-7-yl)-12-(9-phenylpyrimido[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
SMILESc1ccc(-n2c3cc(-c4cnc5oc6ncc(-c7ccc8c9nccnc9n(-c9ccccc9)c8c7)cc6c5c4)ccc3c3nccnc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5oc6ccc(-c7ccc8c9ncncc9n(-c9ccccc9)c8c7)nc6c5n4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cnc5oc6ncc(-c7ccc8c9cnncc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cnc5oc6ncc(-c7ccc8c9nccnc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1.c1ccc(-n2c3cnncc3c3ccc(-c4cc5c(cn4)oc4cnc(-c6ccc7c8cnncc8n(-c8ccccc8)c7c6)cc45)cc32)cc1.c1ccc(-n2c3cnncc3c3ccc(-c4cnc5oc6ncc(-c7ccc8c9cncnc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1
InChIInChI=1S/3C44H26N6O.3C42H24N8O/c1-3-9-31(10-4-1)49-39-14-8-7-13-33(39)34-17-15-27(21-40(34)49)29-19-36-37-20-30(24-46-44(37)51-43(36)45-23-29)28-16-18-35-38-25-47-48-26-42(38)50(41(35)22-28)32-11-5-2-6-12-32;1-3-9-29(10-4-1)49-36-14-8-7-13-31(36)32-17-15-27(23-37(32)49)34-19-21-40-43(47-34)44-41(51-40)22-20-35(48-44)28-16-18-33-38(24-28)50(30-11-5-2-6-12-30)39-25-45-26-46-42(33)39;1-3-9-31(10-4-1)49-38-14-8-7-13-33(38)34-17-15-27(23-39(34)49)29-21-36-37-22-30(26-48-44(37)51-43(36)47-25-29)28-16-18-35-40(24-28)50(32-11-5-2-6-12-32)42-41(35)45-19-20-46-42;1-3-7-29(8-4-1)49-37-17-25(11-13-31(37)35-22-47-48-23-39(35)49)27-15-33-34-16-28(20-45-42(34)51-41(33)44-19-27)26-12-14-32-36-21-43-24-46-40(36)50(38(32)18-26)30-9-5-2-6-10-30;1-3-7-27(8-4-1)49-37-15-25(11-13-29(37)33-19-45-47-21-39(33)49)35-17-31-32-18-36(44-24-42(32)51-41(31)23-43-35)26-12-14-30-34-20-46-48-22-40(34)50(38(30)16-26)28-9-5-2-6-10-28;1-3-7-29(8-4-1)49-35-21-25(11-13-31(35)37-39(49)45-17-15-43-37)27-19-33-34-20-28(24-48-42(34)51-41(33)47-23-27)26-12-14-32-36(22-26)50(30-9-5-2-6-10-30)40-38(32)44-16-18-46-40/h3*1-26H;3*1-24H
InChIKeyBKKBNKOHHAJZLF-UHFFFAOYSA-N
XLogP60.54
TPSA524.70 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds24
Heavy Atoms306
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003934.33
LogP ≤ 560.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

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

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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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CID 157063478
[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
(3-Ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157197432
CID 157477470
CID 157477470
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-4-(3,5-difluorophenyl)-2-methylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-2-methylcarbazole;9-[4-(3,5-difluorophenyl)-3-(2-pyrazin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole
CID 157608574

Frequently Asked Questions

What is the IUPAC name of 4,12-bis(5-phenylpyrazino[2,3-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(5-phenylpyridazino[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenylpyrazino[2,3-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-phenylpyridazino[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-phenylpyrimido[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyridazino[4,5-b]indol-7-yl)-12-(9-phenylpyrimido[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?
The IUPAC name of 4,12-bis(5-phenylpyrazino[2,3-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(5-phenylpyridazino[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenylpyrazino[2,3-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-phenylpyridazino[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-phenylpyrimido[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyridazino[4,5-b]indol-7-yl)-12-(9-phenylpyrimido[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 (CID 157376649) is 4,12-bis(5-phenylpyrazino[2,3-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(5-phenylpyridazino[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenylpyrazino[2,3-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-phenylpyridazino[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-phenylpyrimido[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyridazino[4,5-b]indol-7-yl)-12-(9-phenylpyrimido[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.
What is the SMILES notation for 4,12-bis(5-phenylpyrazino[2,3-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(5-phenylpyridazino[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenylpyrazino[2,3-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-phenylpyridazino[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-phenylpyrimido[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyridazino[4,5-b]indol-7-yl)-12-(9-phenylpyrimido[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?
The canonical SMILES for 4,12-bis(5-phenylpyrazino[2,3-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(5-phenylpyridazino[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenylpyrazino[2,3-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-phenylpyridazino[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-phenylpyrimido[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyridazino[4,5-b]indol-7-yl)-12-(9-phenylpyrimido[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 is c1ccc(-n2c3cc(-c4cnc5oc6ncc(-c7ccc8c9nccnc9n(-c9ccccc9)c8c7)cc6c5c4)ccc3c3nccnc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5oc6ccc(-c7ccc8c9ncncc9n(-c9ccccc9)c8c7)nc6c5n4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cnc5oc6ncc(-c7ccc8c9cnncc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cnc5oc6ncc(-c7ccc8c9nccnc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1.c1ccc(-n2c3cnncc3c3ccc(-c4cc5c(cn4)oc4cnc(-c6ccc7c8cnncc8n(-c8ccccc8)c7c6)cc45)cc32)cc1.c1ccc(-n2c3cnncc3c3ccc(-c4cnc5oc6ncc(-c7ccc8c9cncnc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1.
What is the InChIKey of 4,12-bis(5-phenylpyrazino[2,3-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(5-phenylpyridazino[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenylpyrazino[2,3-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-phenylpyridazino[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-phenylpyrimido[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyridazino[4,5-b]indol-7-yl)-12-(9-phenylpyrimido[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?
The InChIKey is BKKBNKOHHAJZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C44H26N6O.3C42H24N8O/c1-3-9-31(10-4-1)49-39-14-8-7-13-33(39)34-17-15-27(21-40(34)49)29-19-36-37-20-30(24-46-44(37)51-43(36)45-23-29)28-16-18-35-38-25-47-48-26-42(38)50(41(35)22-28)32-11-5-2-6-12-32;1-3-9-29(10-4-1)49-36-14-8-7-13-31(36)32-17-15-27(23-37(32)49)34-19-21-40-43(47-34)44-41(51-40)22-20-35(48-44)28-16-18-33-38(24-28)50(30-11-5-2-6-12-30)39-25-45-26-46-42(33)39;1-3-9-31(10-4-1)49-38-14-8-7-13-33(38)34-17-15-27(23-39(34)49)29-21-36-37-22-30(26-48-44(37)51-43(36)47-25-29)28-16-18-35-40(24-28)50(32-11-5-2-6-12-32)42-41(35)45-19-20-46-42;1-3-7-29(8-4-1)49-37-17-25(11-13-31(37)35-22-47-48-23-39(35)49)27-15-33-34-16-28(20-45-42(34)51-41(33)44-19-27)26-12-14-32-36-21-43-24-46-40(36)50(38(32)18-26)30-9-5-2-6-10-30;1-3-7-27(8-4-1)49-37-15-25(11-13-29(37)33-19-45-47-21-39(33)49)35-17-31-32-18-36(44-24-42(32)51-41(31)23-43-35)26-12-14-30-34-20-46-48-22-40(34)50(38(30)16-26)28-9-5-2-6-10-28;1-3-7-29(8-4-1)49-35-21-25(11-13-31(35)37-39(49)45-17-15-43-37)27-19-33-34-20-28(24-48-42(34)51-41(33)47-23-27)26-12-14-32-36(22-26)50(30-9-5-2-6-10-30)40-38(32)44-16-18-46-40/h3*1-26H;3*1-24H.
What are the key properties of 4,12-bis(5-phenylpyrazino[2,3-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(5-phenylpyridazino[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenylpyrazino[2,3-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-phenylpyridazino[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-phenylpyrimido[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyridazino[4,5-b]indol-7-yl)-12-(9-phenylpyrimido[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?
4,12-bis(5-phenylpyrazino[2,3-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(5-phenylpyridazino[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenylpyrazino[2,3-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-phenylpyridazino[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-phenylpyrimido[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyridazino[4,5-b]indol-7-yl)-12-(9-phenylpyrimido[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 has a molecular weight of 3934.33 g/mol, XLogP of 60.54, 24 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 4,12-bis(5-phenylpyrazino[2,3-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(5-phenylpyridazino[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenylpyrazino[2,3-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-phenylpyridazino[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-phenylpyrimido[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyridazino[4,5-b]indol-7-yl)-12-(9-phenylpyrimido[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 is sourced from PubChem (CID 157376649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).