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

C257H151N43O6 — CID 158676827

IUPAC4,12-bis(5-phenylpyridazino[4,3-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-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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-dihydrotriazino[4,5-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-(9-phenylcarbazol-2-yl)-12-(5-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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(-c3ccc4oc5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)nc5c4n3)cc1n2-c1ccccc1.c1ccc(-n2c3cc(-c4cc5c(cn4)oc4cnc(-c6ccc7c8nnccc8n(-c8ccccc8)c7c6)cc45)ccc3c3nnccc32)cc1.c1ccc(-n2c3cc(-c4cnc5oc6ncc(-c7ccc8c9ncncc9n(-c9ccccc9)c8c7)cc6c5c4)ccc3c3ncncc32)cc1.c1ccc(-n2c3cc(-c4cnc5oc6ncc(-c7ccc8c9nnccc9n(-c9ccccc9)c8c7)cc6c5c4)ccc3c3nnccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cnc5oc6ncc(-c7ccc8c9ncncc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cnc5oc6ncc(-c7ccc8c9nnccc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1
InChIInChI=1S/2C44H26N6O.C43H27N7O.3C42H24N8O/c1-3-9-31(10-4-1)49-38-14-8-7-13-33(38)34-17-15-27(21-39(34)49)29-19-36-37-20-30(24-47-44(37)51-43(36)46-23-29)28-16-18-35-40(22-28)50(32-11-5-2-6-12-32)41-25-45-26-48-42(35)41;1-3-9-31(10-4-1)49-38-14-8-7-13-33(38)34-17-15-27(23-40(34)49)29-21-36-37-22-30(26-46-44(37)51-43(36)45-25-29)28-16-18-35-41(24-28)50(32-11-5-2-6-12-32)39-19-20-47-48-42(35)39;1-3-9-28(10-4-1)49-36-14-8-7-13-30(36)31-17-15-26(23-37(31)49)34-19-21-39-41(45-34)42-40(51-39)22-20-35(46-42)27-16-18-32-33-25-44-48-47-43(33)50(38(32)24-27)29-11-5-2-6-12-29;1-3-7-29(8-4-1)49-35-17-25(11-13-31(35)39-37(49)21-43-23-47-39)27-15-33-34-16-28(20-46-42(34)51-41(33)45-19-27)26-12-14-32-36(18-26)50(30-9-5-2-6-10-30)38-22-44-24-48-40(32)38;1-3-7-29(8-4-1)49-35-15-17-45-47-39(35)31-13-11-25(21-37(31)49)27-19-33-34-20-28(24-44-42(34)51-41(33)43-23-27)26-12-14-32-38(22-26)50(30-9-5-2-6-10-30)36-16-18-46-48-40(32)36;1-3-7-27(8-4-1)49-35-15-17-45-47-41(35)29-13-11-25(19-37(29)49)33-21-31-32-22-34(44-24-40(32)51-39(31)23-43-33)26-12-14-30-38(20-26)50(28-9-5-2-6-10-28)36-16-18-46-48-42(30)36/h2*1-26H;1-25,47-48H;3*1-24H
InChIKeyIEPXRNNOALZVGM-UHFFFAOYSA-N
MW3937.33 g/mol
LogP59.86
Rot. Bonds24

About 4,12-bis(5-phenylpyridazino[4,3-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-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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-dihydrotriazino[4,5-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-(9-phenylcarbazol-2-yl)-12-(5-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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[4,3-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-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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-dihydrotriazino[4,5-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-(9-phenylcarbazol-2-yl)-12-(5-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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 158676827) has the molecular formula C257H151N43O6 and a molecular weight of 3937.33 g/mol. Its IUPAC name is 4,12-bis(5-phenylpyridazino[4,3-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-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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-dihydrotriazino[4,5-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-(9-phenylcarbazol-2-yl)-12-(5-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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-phenylpyridazino[4,3-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-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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-dihydrotriazino[4,5-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-(9-phenylcarbazol-2-yl)-12-(5-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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 CID158676827
Molecular FormulaC257H151N43O6
Molecular Weight3937.33 g/mol
Exact Mass3934.28
IUPAC Name4,12-bis(5-phenylpyridazino[4,3-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-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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-dihydrotriazino[4,5-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-(9-phenylcarbazol-2-yl)-12-(5-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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(-c3ccc4oc5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)nc5c4n3)cc1n2-c1ccccc1.c1ccc(-n2c3cc(-c4cc5c(cn4)oc4cnc(-c6ccc7c8nnccc8n(-c8ccccc8)c7c6)cc45)ccc3c3nnccc32)cc1.c1ccc(-n2c3cc(-c4cnc5oc6ncc(-c7ccc8c9ncncc9n(-c9ccccc9)c8c7)cc6c5c4)ccc3c3ncncc32)cc1.c1ccc(-n2c3cc(-c4cnc5oc6ncc(-c7ccc8c9nnccc9n(-c9ccccc9)c8c7)cc6c5c4)ccc3c3nnccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cnc5oc6ncc(-c7ccc8c9ncncc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cnc5oc6ncc(-c7ccc8c9nnccc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1
InChIInChI=1S/2C44H26N6O.C43H27N7O.3C42H24N8O/c1-3-9-31(10-4-1)49-38-14-8-7-13-33(38)34-17-15-27(21-39(34)49)29-19-36-37-20-30(24-47-44(37)51-43(36)46-23-29)28-16-18-35-40(22-28)50(32-11-5-2-6-12-32)41-25-45-26-48-42(35)41;1-3-9-31(10-4-1)49-38-14-8-7-13-33(38)34-17-15-27(23-40(34)49)29-21-36-37-22-30(26-46-44(37)51-43(36)45-25-29)28-16-18-35-41(24-28)50(32-11-5-2-6-12-32)39-19-20-47-48-42(35)39;1-3-9-28(10-4-1)49-36-14-8-7-13-30(36)31-17-15-26(23-37(31)49)34-19-21-39-41(45-34)42-40(51-39)22-20-35(46-42)27-16-18-32-33-25-44-48-47-43(33)50(38(32)24-27)29-11-5-2-6-12-29;1-3-7-29(8-4-1)49-35-17-25(11-13-31(35)39-37(49)21-43-23-47-39)27-15-33-34-16-28(20-46-42(34)51-41(33)45-19-27)26-12-14-32-36(18-26)50(30-9-5-2-6-10-30)38-22-44-24-48-40(32)38;1-3-7-29(8-4-1)49-35-15-17-45-47-39(35)31-13-11-25(21-37(31)49)27-19-33-34-20-28(24-44-42(34)51-41(33)43-23-27)26-12-14-32-38(22-26)50(30-9-5-2-6-10-30)36-16-18-46-48-40(32)36;1-3-7-27(8-4-1)49-35-15-17-45-47-41(35)29-13-11-25(19-37(29)49)33-21-31-32-22-34(44-24-40(32)51-39(31)23-43-33)26-12-14-30-38(20-26)50(28-9-5-2-6-10-28)36-16-18-46-48-42(30)36/h2*1-26H;1-25,47-48H;3*1-24H
InChIKeyIEPXRNNOALZVGM-UHFFFAOYSA-N
XLogP59.86
TPSA535.34 Ų
H-Bond Donors2
H-Bond Acceptors49
Rotatable Bonds24
Heavy Atoms306
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003937.33
LogP ≤ 559.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1049

Analyze 4,12-bis(5-phenylpyridazino[4,3-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-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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-dihydrotriazino[4,5-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-(9-phenylcarbazol-2-yl)-12-(5-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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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Frequently Asked Questions

What is the IUPAC name of 4,12-bis(5-phenylpyridazino[4,3-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-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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-dihydrotriazino[4,5-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-(9-phenylcarbazol-2-yl)-12-(5-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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-phenylpyridazino[4,3-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-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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-dihydrotriazino[4,5-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-(9-phenylcarbazol-2-yl)-12-(5-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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 158676827) is 4,12-bis(5-phenylpyridazino[4,3-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-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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-dihydrotriazino[4,5-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-(9-phenylcarbazol-2-yl)-12-(5-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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-phenylpyridazino[4,3-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-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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-dihydrotriazino[4,5-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-(9-phenylcarbazol-2-yl)-12-(5-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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-phenylpyridazino[4,3-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-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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-dihydrotriazino[4,5-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-(9-phenylcarbazol-2-yl)-12-(5-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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(-c3ccc4oc5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)nc5c4n3)cc1n2-c1ccccc1.c1ccc(-n2c3cc(-c4cc5c(cn4)oc4cnc(-c6ccc7c8nnccc8n(-c8ccccc8)c7c6)cc45)ccc3c3nnccc32)cc1.c1ccc(-n2c3cc(-c4cnc5oc6ncc(-c7ccc8c9ncncc9n(-c9ccccc9)c8c7)cc6c5c4)ccc3c3ncncc32)cc1.c1ccc(-n2c3cc(-c4cnc5oc6ncc(-c7ccc8c9nnccc9n(-c9ccccc9)c8c7)cc6c5c4)ccc3c3nnccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cnc5oc6ncc(-c7ccc8c9ncncc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cnc5oc6ncc(-c7ccc8c9nnccc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1.
What is the InChIKey of 4,12-bis(5-phenylpyridazino[4,3-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-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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-dihydrotriazino[4,5-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-(9-phenylcarbazol-2-yl)-12-(5-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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 IEPXRNNOALZVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H26N6O.C43H27N7O.3C42H24N8O/c1-3-9-31(10-4-1)49-38-14-8-7-13-33(38)34-17-15-27(21-39(34)49)29-19-36-37-20-30(24-47-44(37)51-43(36)46-23-29)28-16-18-35-40(22-28)50(32-11-5-2-6-12-32)41-25-45-26-48-42(35)41;1-3-9-31(10-4-1)49-38-14-8-7-13-33(38)34-17-15-27(23-40(34)49)29-21-36-37-22-30(26-46-44(37)51-43(36)45-25-29)28-16-18-35-41(24-28)50(32-11-5-2-6-12-32)39-19-20-47-48-42(35)39;1-3-9-28(10-4-1)49-36-14-8-7-13-30(36)31-17-15-26(23-37(31)49)34-19-21-39-41(45-34)42-40(51-39)22-20-35(46-42)27-16-18-32-33-25-44-48-47-43(33)50(38(32)24-27)29-11-5-2-6-12-29;1-3-7-29(8-4-1)49-35-17-25(11-13-31(35)39-37(49)21-43-23-47-39)27-15-33-34-16-28(20-46-42(34)51-41(33)45-19-27)26-12-14-32-36(18-26)50(30-9-5-2-6-10-30)38-22-44-24-48-40(32)38;1-3-7-29(8-4-1)49-35-15-17-45-47-39(35)31-13-11-25(21-37(31)49)27-19-33-34-20-28(24-44-42(34)51-41(33)43-23-27)26-12-14-32-38(22-26)50(30-9-5-2-6-10-30)36-16-18-46-48-40(32)36;1-3-7-27(8-4-1)49-35-15-17-45-47-41(35)29-13-11-25(19-37(29)49)33-21-31-32-22-34(44-24-40(32)51-39(31)23-43-33)26-12-14-30-38(20-26)50(28-9-5-2-6-10-28)36-16-18-46-48-42(30)36/h2*1-26H;1-25,47-48H;3*1-24H.
What are the key properties of 4,12-bis(5-phenylpyridazino[4,3-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-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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-dihydrotriazino[4,5-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-(9-phenylcarbazol-2-yl)-12-(5-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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[4,3-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-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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-dihydrotriazino[4,5-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-(9-phenylcarbazol-2-yl)-12-(5-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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 3937.33 g/mol, XLogP of 59.86, 24 rotatable bonds, 2 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 4,12-bis(5-phenylpyridazino[4,3-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-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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-dihydrotriazino[4,5-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-(9-phenylcarbazol-2-yl)-12-(5-phenylpyridazino[4,3-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-phenylpyrimido[5,4-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 158676827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).