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

C323H198N28O2S2Se2 — CID 157441315

IUPAC5,11-bis(9-phenylcarbazol-3-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cnc5c(c4)Cc4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cnc4-5)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cnc5c(c4)[se]c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cnc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cnc5c(c4)oc4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cnc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cnc5c(c4)sc4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cnc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cc5c(cn4)[se]c4cnc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc45)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cc5c(cn4)oc4cnc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc45)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cc5c(cn4)sc4cnc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc45)cc32)cc1
InChIInChI=1S/C47H30N4.2C46H28N4O.2C46H28N4S.2C46H28N4Se/c1-3-11-36(12-4-1)50-42-17-9-7-15-38(42)40-26-30(19-21-44(40)50)34-24-32-23-33-25-35(29-49-47(33)46(32)48-28-34)31-20-22-45-41(27-31)39-16-8-10-18-43(39)51(45)37-13-5-2-6-14-37;1-3-11-33(12-4-1)49-39-17-9-7-15-35(39)37-23-29(19-21-41(37)49)31-25-43-45(47-27-31)46-44(51-43)26-32(28-48-46)30-20-22-42-38(24-30)36-16-8-10-18-40(36)50(42)34-13-5-2-6-14-34;1-3-11-31(12-4-1)49-41-17-9-7-15-33(41)35-21-19-29(23-43(35)49)39-25-37-38-26-40(48-28-46(38)51-45(37)27-47-39)30-20-22-36-34-16-8-10-18-42(34)50(44(36)24-30)32-13-5-2-6-14-32;1-3-11-33(12-4-1)49-39-17-9-7-15-35(39)37-23-29(19-21-41(37)49)31-25-43-45(47-27-31)46-44(51-43)26-32(28-48-46)30-20-22-42-38(24-30)36-16-8-10-18-40(36)50(42)34-13-5-2-6-14-34;1-3-11-31(12-4-1)49-41-17-9-7-15-33(41)35-21-19-29(23-43(35)49)39-25-37-38-26-40(48-28-46(38)51-45(37)27-47-39)30-20-22-36-34-16-8-10-18-42(34)50(44(36)24-30)32-13-5-2-6-14-32;1-3-11-33(12-4-1)49-39-17-9-7-15-35(39)37-23-29(19-21-41(37)49)31-25-43-45(47-27-31)46-44(51-43)26-32(28-48-46)30-20-22-42-38(24-30)36-16-8-10-18-40(36)50(42)34-13-5-2-6-14-34;1-3-11-31(12-4-1)49-41-17-9-7-15-33(41)35-21-19-29(23-43(35)49)39-25-37-38-26-40(48-28-46(38)51-45(37)27-47-39)30-20-22-36-34-16-8-10-18-42(34)50(44(36)24-30)32-13-5-2-6-14-32/h1-22,24-29H,23H2;6*1-28H
InChIKeyBRSCHCFOTVSXOA-UHFFFAOYSA-N
MW4725.38 g/mol
LogP82.87
Rot. Bonds28

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

5,11-bis(9-phenylcarbazol-3-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 157441315) has the molecular formula C323H198N28O2S2Se2 and a molecular weight of 4725.38 g/mol. Its IUPAC name is 5,11-bis(9-phenylcarbazol-3-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name5,11-bis(9-phenylcarbazol-3-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID157441315
Molecular FormulaC323H198N28O2S2Se2
Molecular Weight4725.38 g/mol
Exact Mass4723.40
IUPAC Name5,11-bis(9-phenylcarbazol-3-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cnc5c(c4)Cc4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cnc4-5)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cnc5c(c4)[se]c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cnc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cnc5c(c4)oc4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cnc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cnc5c(c4)sc4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cnc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cc5c(cn4)[se]c4cnc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc45)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cc5c(cn4)oc4cnc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc45)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cc5c(cn4)sc4cnc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc45)cc32)cc1
InChIInChI=1S/C47H30N4.2C46H28N4O.2C46H28N4S.2C46H28N4Se/c1-3-11-36(12-4-1)50-42-17-9-7-15-38(42)40-26-30(19-21-44(40)50)34-24-32-23-33-25-35(29-49-47(33)46(32)48-28-34)31-20-22-45-41(27-31)39-16-8-10-18-43(39)51(45)37-13-5-2-6-14-37;1-3-11-33(12-4-1)49-39-17-9-7-15-35(39)37-23-29(19-21-41(37)49)31-25-43-45(47-27-31)46-44(51-43)26-32(28-48-46)30-20-22-42-38(24-30)36-16-8-10-18-40(36)50(42)34-13-5-2-6-14-34;1-3-11-31(12-4-1)49-41-17-9-7-15-33(41)35-21-19-29(23-43(35)49)39-25-37-38-26-40(48-28-46(38)51-45(37)27-47-39)30-20-22-36-34-16-8-10-18-42(34)50(44(36)24-30)32-13-5-2-6-14-32;1-3-11-33(12-4-1)49-39-17-9-7-15-35(39)37-23-29(19-21-41(37)49)31-25-43-45(47-27-31)46-44(51-43)26-32(28-48-46)30-20-22-42-38(24-30)36-16-8-10-18-40(36)50(42)34-13-5-2-6-14-34;1-3-11-31(12-4-1)49-41-17-9-7-15-33(41)35-21-19-29(23-43(35)49)39-25-37-38-26-40(48-28-46(38)51-45(37)27-47-39)30-20-22-36-34-16-8-10-18-42(34)50(44(36)24-30)32-13-5-2-6-14-32;1-3-11-33(12-4-1)49-39-17-9-7-15-35(39)37-23-29(19-21-41(37)49)31-25-43-45(47-27-31)46-44(51-43)26-32(28-48-46)30-20-22-42-38(24-30)36-16-8-10-18-40(36)50(42)34-13-5-2-6-14-34;1-3-11-31(12-4-1)49-41-17-9-7-15-33(41)35-21-19-29(23-43(35)49)39-25-37-38-26-40(48-28-46(38)51-45(37)27-47-39)30-20-22-36-34-16-8-10-18-42(34)50(44(36)24-30)32-13-5-2-6-14-32/h1-22,24-29H,23H2;6*1-28H
InChIKeyBRSCHCFOTVSXOA-UHFFFAOYSA-N
XLogP82.87
TPSA275.76 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms357
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004725.38
LogP ≤ 582.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

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

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Related Compounds

4,6,10,12-Tetrakis(5-phenylpyrido[4,3-b]indol-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58059088
6-[4-[3-(8-Carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 58099555
6,10-Bis(5-phenylpyrido[4,3-b]indol-8-yl)-4,12-bis[3-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58099557
8-(3,8,13-Triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4-[5-[6-[8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[4,3-b]indol-8-yl]-[1]benzofuro[3,2-b]pyridine
CID 58099614
8-(3,4,8,12,13-Pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[9-[8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-d]pyridazine
CID 58099654
8-(3,4,8,12,13-Pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[9-[8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-d]pyridazine
CID 70805800
6-[4-[3-(8-Carbazol-9-yldibenzofuran-4-yl)-1,2-dihydrocarbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 87766443
8-(3,8,13-Triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4-[5-[8-[8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]-6,7-dihydropyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]pyrido[3,2-b]indol-8-yl]-[1]benzofuro[3,2-b]pyridine
CID 87766699
8-[3-[9-([1]Benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850214
8-[3-[3-[9-[3-([1]Benzothiolo[3,2-b]pyridin-8-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 89850228
8-[3-[3-[8-[9-[3-([1]Benzothiolo[3,2-b]pyridin-8-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 89850231
8-[3-[9-([1]Benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]oxycarbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850235

Frequently Asked Questions

What is the IUPAC name of 5,11-bis(9-phenylcarbazol-3-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 5,11-bis(9-phenylcarbazol-3-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 157441315) is 5,11-bis(9-phenylcarbazol-3-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 5,11-bis(9-phenylcarbazol-3-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 5,11-bis(9-phenylcarbazol-3-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc(-n2c3ccccc3c3cc(-c4cnc5c(c4)Cc4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cnc4-5)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cnc5c(c4)[se]c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cnc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cnc5c(c4)oc4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cnc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cnc5c(c4)sc4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cnc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cc5c(cn4)[se]c4cnc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc45)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cc5c(cn4)oc4cnc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc45)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cc5c(cn4)sc4cnc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc45)cc32)cc1.
What is the InChIKey of 5,11-bis(9-phenylcarbazol-3-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is BRSCHCFOTVSXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4.2C46H28N4O.2C46H28N4S.2C46H28N4Se/c1-3-11-36(12-4-1)50-42-17-9-7-15-38(42)40-26-30(19-21-44(40)50)34-24-32-23-33-25-35(29-49-47(33)46(32)48-28-34)31-20-22-45-41(27-31)39-16-8-10-18-43(39)51(45)37-13-5-2-6-14-37;1-3-11-33(12-4-1)49-39-17-9-7-15-35(39)37-23-29(19-21-41(37)49)31-25-43-45(47-27-31)46-44(51-43)26-32(28-48-46)30-20-22-42-38(24-30)36-16-8-10-18-40(36)50(42)34-13-5-2-6-14-34;1-3-11-31(12-4-1)49-41-17-9-7-15-33(41)35-21-19-29(23-43(35)49)39-25-37-38-26-40(48-28-46(38)51-45(37)27-47-39)30-20-22-36-34-16-8-10-18-42(34)50(44(36)24-30)32-13-5-2-6-14-32;1-3-11-33(12-4-1)49-39-17-9-7-15-35(39)37-23-29(19-21-41(37)49)31-25-43-45(47-27-31)46-44(51-43)26-32(28-48-46)30-20-22-42-38(24-30)36-16-8-10-18-40(36)50(42)34-13-5-2-6-14-34;1-3-11-31(12-4-1)49-41-17-9-7-15-33(41)35-21-19-29(23-43(35)49)39-25-37-38-26-40(48-28-46(38)51-45(37)27-47-39)30-20-22-36-34-16-8-10-18-42(34)50(44(36)24-30)32-13-5-2-6-14-32;1-3-11-33(12-4-1)49-39-17-9-7-15-35(39)37-23-29(19-21-41(37)49)31-25-43-45(47-27-31)46-44(51-43)26-32(28-48-46)30-20-22-42-38(24-30)36-16-8-10-18-40(36)50(42)34-13-5-2-6-14-34;1-3-11-31(12-4-1)49-41-17-9-7-15-33(41)35-21-19-29(23-43(35)49)39-25-37-38-26-40(48-28-46(38)51-45(37)27-47-39)30-20-22-36-34-16-8-10-18-42(34)50(44(36)24-30)32-13-5-2-6-14-32/h1-22,24-29H,23H2;6*1-28H.
What are the key properties of 5,11-bis(9-phenylcarbazol-3-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
5,11-bis(9-phenylcarbazol-3-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 4725.38 g/mol, XLogP of 82.87, 28 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-bis(9-phenylcarbazol-3-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 157441315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).