5-[4-[3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole;5-[4-[[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole;5-[4-[[6-[5-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[6-[5-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,4-b]indole;8-[4-[3-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-2,2-bis[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]propyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C318H224N40 — CID 158927878

IUPAC5-[4-[3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole;5-[4-[[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole;5-[4-[[6-[5-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[6-[5-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,4-b]indole;8-[4-[3-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-2,2-bis[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]propyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cc2c(cn1)c1cnccc1n2-c1ccc(CC(Cc2ccc(-n3c4ccncc4c4cnccc43)cc2)(Cc2ccc(-n3c4ccncc4c4cnccc43)cc2)Cc2ccc(-n3c4ccncc4c4cnccc43)cc2)cc1.c1ccc2c(c1)c1ccncc1n2-c1ccc(Cc2ccc(-c3ccc(Cc4ccc(-n5c6ccccc6c6ccncc65)cc4)cn3)nc2)cc1.c1ccc2c(c1)c1ccncc1n2-c1ccc(Cc2ccc(Cc3ccc(-n4c5ccccc5c5ccncc54)cc3)cc2)cc1.c1ccc2c(c1)c1cnccc1n2-c1ccc(CC(Cc2ccc(-n3c4ccccc4c4cnccc43)cc2)(Cc2ccc(-n3c4ccccc4c4cnccc43)cc2)Cc2ccc(-n3c4ccccc4c4cnccc43)cc2)cc1.c1ccc2c(c1)c1ncccc1n2-c1ccc(Cc2ccc(-c3ccc(Cc4ccc(-n5c6ccccc6c6ncccc65)cc4)cn3)nc2)cc1.c1ccc2c(c1)c1ncccc1n2-c1ccc(Cc2ccc(Cc3ccc(-n4c5ccccc5c5ncccc54)cc3)cc2)cc1
InChIInChI=1S/C73H52N8.C69H48N12.2C46H32N6.2C42H30N4/c1-5-13-65-57(9-1)61-45-74-37-33-69(61)78(65)53-25-17-49(18-26-53)41-73(42-50-19-27-54(28-20-50)79-66-14-6-2-10-58(66)62-46-75-38-34-70(62)79,43-51-21-29-55(30-22-51)80-67-15-7-3-11-59(67)63-47-76-39-35-71(63)80)44-52-23-31-56(32-24-52)81-68-16-8-4-12-60(68)64-48-77-40-36-72(64)81;1-9-49(78-61-17-25-70-37-53(61)54-38-71-26-18-62(54)78)10-2-45(1)33-69(34-46-3-11-50(12-4-46)79-63-19-27-72-39-55(63)56-40-73-28-20-64(56)79,35-47-5-13-51(14-6-47)80-65-21-29-74-41-57(65)58-42-75-30-22-66(58)80)36-48-7-15-52(16-8-48)81-67-23-31-76-43-59(67)60-44-77-32-24-68(60)81;1-3-9-41-37(7-1)45-43(11-5-25-47-45)51(41)35-19-13-31(14-20-35)27-33-17-23-39(49-29-33)40-24-18-34(30-50-40)28-32-15-21-36(22-16-32)52-42-10-4-2-8-38(42)46-44(52)12-6-26-48-46;1-3-7-43-37(5-1)39-21-23-47-29-45(39)51(43)35-15-9-31(10-16-35)25-33-13-19-41(49-27-33)42-20-14-34(28-50-42)26-32-11-17-36(18-12-32)52-44-8-4-2-6-38(44)40-22-24-48-30-46(40)52;1-3-9-37-35(7-1)41-39(11-5-25-43-41)45(37)33-21-17-31(18-22-33)27-29-13-15-30(16-14-29)28-32-19-23-34(24-20-32)46-38-10-4-2-8-36(38)42-40(46)12-6-26-44-42;1-3-7-39-35(5-1)37-21-23-43-27-41(37)45(39)33-17-13-31(14-18-33)25-29-9-11-30(12-10-29)26-32-15-19-34(20-16-32)46-40-8-4-2-6-36(40)38-22-24-44-28-42(38)46/h1-40,45-48H,41-44H2;1-32,37-44H,33-36H2;1-26,29-30H,27-28H2;1-24,27-30H,25-26H2;1-26H,27-28H2;1-24,27-28H,25-26H2
InChIKeyJIRAYXJBCLZDQH-UHFFFAOYSA-N
MW4605.57 g/mol
LogP71.73
Rot. Bonds50

About 5-[4-[3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole;5-[4-[[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole;5-[4-[[6-[5-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[6-[5-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,4-b]indole;8-[4-[3-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-2,2-bis[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]propyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

5-[4-[3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole;5-[4-[[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole;5-[4-[[6-[5-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[6-[5-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,4-b]indole;8-[4-[3-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-2,2-bis[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]propyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 158927878) has the molecular formula C318H224N40 and a molecular weight of 4605.57 g/mol. Its IUPAC name is 5-[4-[3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole;5-[4-[[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole;5-[4-[[6-[5-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[6-[5-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,4-b]indole;8-[4-[3-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-2,2-bis[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]propyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name5-[4-[3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole;5-[4-[[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole;5-[4-[[6-[5-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[6-[5-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,4-b]indole;8-[4-[3-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-2,2-bis[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]propyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID158927878
Molecular FormulaC318H224N40
Molecular Weight4605.57 g/mol
Exact Mass4601.88
IUPAC Name5-[4-[3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole;5-[4-[[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole;5-[4-[[6-[5-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[6-[5-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,4-b]indole;8-[4-[3-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-2,2-bis[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]propyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cc2c(cn1)c1cnccc1n2-c1ccc(CC(Cc2ccc(-n3c4ccncc4c4cnccc43)cc2)(Cc2ccc(-n3c4ccncc4c4cnccc43)cc2)Cc2ccc(-n3c4ccncc4c4cnccc43)cc2)cc1.c1ccc2c(c1)c1ccncc1n2-c1ccc(Cc2ccc(-c3ccc(Cc4ccc(-n5c6ccccc6c6ccncc65)cc4)cn3)nc2)cc1.c1ccc2c(c1)c1ccncc1n2-c1ccc(Cc2ccc(Cc3ccc(-n4c5ccccc5c5ccncc54)cc3)cc2)cc1.c1ccc2c(c1)c1cnccc1n2-c1ccc(CC(Cc2ccc(-n3c4ccccc4c4cnccc43)cc2)(Cc2ccc(-n3c4ccccc4c4cnccc43)cc2)Cc2ccc(-n3c4ccccc4c4cnccc43)cc2)cc1.c1ccc2c(c1)c1ncccc1n2-c1ccc(Cc2ccc(-c3ccc(Cc4ccc(-n5c6ccccc6c6ncccc65)cc4)cn3)nc2)cc1.c1ccc2c(c1)c1ncccc1n2-c1ccc(Cc2ccc(Cc3ccc(-n4c5ccccc5c5ncccc54)cc3)cc2)cc1
InChIInChI=1S/C73H52N8.C69H48N12.2C46H32N6.2C42H30N4/c1-5-13-65-57(9-1)61-45-74-37-33-69(61)78(65)53-25-17-49(18-26-53)41-73(42-50-19-27-54(28-20-50)79-66-14-6-2-10-58(66)62-46-75-38-34-70(62)79,43-51-21-29-55(30-22-51)80-67-15-7-3-11-59(67)63-47-76-39-35-71(63)80)44-52-23-31-56(32-24-52)81-68-16-8-4-12-60(68)64-48-77-40-36-72(64)81;1-9-49(78-61-17-25-70-37-53(61)54-38-71-26-18-62(54)78)10-2-45(1)33-69(34-46-3-11-50(12-4-46)79-63-19-27-72-39-55(63)56-40-73-28-20-64(56)79,35-47-5-13-51(14-6-47)80-65-21-29-74-41-57(65)58-42-75-30-22-66(58)80)36-48-7-15-52(16-8-48)81-67-23-31-76-43-59(67)60-44-77-32-24-68(60)81;1-3-9-41-37(7-1)45-43(11-5-25-47-45)51(41)35-19-13-31(14-20-35)27-33-17-23-39(49-29-33)40-24-18-34(30-50-40)28-32-15-21-36(22-16-32)52-42-10-4-2-8-38(42)46-44(52)12-6-26-48-46;1-3-7-43-37(5-1)39-21-23-47-29-45(39)51(43)35-15-9-31(10-16-35)25-33-13-19-41(49-27-33)42-20-14-34(28-50-42)26-32-11-17-36(18-12-32)52-44-8-4-2-6-38(44)40-22-24-48-30-46(40)52;1-3-9-37-35(7-1)41-39(11-5-25-43-41)45(37)33-21-17-31(18-22-33)27-29-13-15-30(16-14-29)28-32-19-23-34(24-20-32)46-38-10-4-2-8-36(38)42-40(46)12-6-26-44-42;1-3-7-39-35(5-1)37-21-23-43-27-41(37)45(39)33-17-13-31(14-18-33)25-29-9-11-30(12-10-29)26-32-15-19-34(20-16-32)46-40-8-4-2-6-36(40)38-22-24-44-28-42(38)46/h1-40,45-48H,41-44H2;1-32,37-44H,33-36H2;1-26,29-30H,27-28H2;1-24,27-30H,25-26H2;1-26H,27-28H2;1-24,27-28H,25-26H2
InChIKeyJIRAYXJBCLZDQH-UHFFFAOYSA-N
XLogP71.73
TPSA388.24 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds50
Heavy Atoms358
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004605.57
LogP ≤ 571.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 5-[4-[3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole;5-[4-[[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole;5-[4-[[6-[5-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[6-[5-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,4-b]indole;8-[4-[3-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-2,2-bis[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]propyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Launch Full Analysis

Related Compounds

8-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59344139
5-[4-[[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole
CID 59344150
5-[3-[6-[5-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 58099053
5-[4-[6-[6-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 58098979
5-[3-[6-[6-(3-pyrido[3,4-b]indol-9-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[3-[6-[6-(3-pyrido[3,4-b]indol-9-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole;5-[3-[6-[6-(3-pyrido[4,3-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 158851264
9-[4-[[6-[5-[(6-methyl-4-pyrido[3,4-b]indol-9-ylcyclohexa-1,3-dien-1-yl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,4-b]indole
CID 163746425
8-[4-[[4-[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]phenyl]methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59344142
8-[4-[4-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 118517438
9-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]pyrido[3,4-b]indole
CID 143291588
5-[4-(dibenzothiophen-2-ylmethyl)phenyl]pyrido[4,3-b]indole
CID 158656541
5-[4-[phenyl-(6-pyridin-2-yl-3-pyridinyl)methyl]phenyl]pyrido[4,3-b]indole
CID 58202938
5-phenyl-8-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[4,3-b]indole;5-phenyl-8-(9-phenylpyrido[3,4-b]indol-6-yl)pyrido[3,2-b]indole;5-phenyl-8-(9-phenylpyrido[3,4-b]indol-6-yl)pyrido[4,3-b]indole
CID 159102469

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole;5-[4-[[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole;5-[4-[[6-[5-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[6-[5-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,4-b]indole;8-[4-[3-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-2,2-bis[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]propyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 5-[4-[3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole;5-[4-[[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole;5-[4-[[6-[5-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[6-[5-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,4-b]indole;8-[4-[3-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-2,2-bis[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]propyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 158927878) is 5-[4-[3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole;5-[4-[[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole;5-[4-[[6-[5-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[6-[5-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,4-b]indole;8-[4-[3-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-2,2-bis[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]propyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 5-[4-[3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole;5-[4-[[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole;5-[4-[[6-[5-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[6-[5-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,4-b]indole;8-[4-[3-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-2,2-bis[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]propyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 5-[4-[3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole;5-[4-[[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole;5-[4-[[6-[5-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[6-[5-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,4-b]indole;8-[4-[3-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-2,2-bis[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]propyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1cc2c(cn1)c1cnccc1n2-c1ccc(CC(Cc2ccc(-n3c4ccncc4c4cnccc43)cc2)(Cc2ccc(-n3c4ccncc4c4cnccc43)cc2)Cc2ccc(-n3c4ccncc4c4cnccc43)cc2)cc1.c1ccc2c(c1)c1ccncc1n2-c1ccc(Cc2ccc(-c3ccc(Cc4ccc(-n5c6ccccc6c6ccncc65)cc4)cn3)nc2)cc1.c1ccc2c(c1)c1ccncc1n2-c1ccc(Cc2ccc(Cc3ccc(-n4c5ccccc5c5ccncc54)cc3)cc2)cc1.c1ccc2c(c1)c1cnccc1n2-c1ccc(CC(Cc2ccc(-n3c4ccccc4c4cnccc43)cc2)(Cc2ccc(-n3c4ccccc4c4cnccc43)cc2)Cc2ccc(-n3c4ccccc4c4cnccc43)cc2)cc1.c1ccc2c(c1)c1ncccc1n2-c1ccc(Cc2ccc(-c3ccc(Cc4ccc(-n5c6ccccc6c6ncccc65)cc4)cn3)nc2)cc1.c1ccc2c(c1)c1ncccc1n2-c1ccc(Cc2ccc(Cc3ccc(-n4c5ccccc5c5ncccc54)cc3)cc2)cc1.
What is the InChIKey of 5-[4-[3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole;5-[4-[[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole;5-[4-[[6-[5-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[6-[5-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,4-b]indole;8-[4-[3-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-2,2-bis[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]propyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is JIRAYXJBCLZDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H52N8.C69H48N12.2C46H32N6.2C42H30N4/c1-5-13-65-57(9-1)61-45-74-37-33-69(61)78(65)53-25-17-49(18-26-53)41-73(42-50-19-27-54(28-20-50)79-66-14-6-2-10-58(66)62-46-75-38-34-70(62)79,43-51-21-29-55(30-22-51)80-67-15-7-3-11-59(67)63-47-76-39-35-71(63)80)44-52-23-31-56(32-24-52)81-68-16-8-4-12-60(68)64-48-77-40-36-72(64)81;1-9-49(78-61-17-25-70-37-53(61)54-38-71-26-18-62(54)78)10-2-45(1)33-69(34-46-3-11-50(12-4-46)79-63-19-27-72-39-55(63)56-40-73-28-20-64(56)79,35-47-5-13-51(14-6-47)80-65-21-29-74-41-57(65)58-42-75-30-22-66(58)80)36-48-7-15-52(16-8-48)81-67-23-31-76-43-59(67)60-44-77-32-24-68(60)81;1-3-9-41-37(7-1)45-43(11-5-25-47-45)51(41)35-19-13-31(14-20-35)27-33-17-23-39(49-29-33)40-24-18-34(30-50-40)28-32-15-21-36(22-16-32)52-42-10-4-2-8-38(42)46-44(52)12-6-26-48-46;1-3-7-43-37(5-1)39-21-23-47-29-45(39)51(43)35-15-9-31(10-16-35)25-33-13-19-41(49-27-33)42-20-14-34(28-50-42)26-32-11-17-36(18-12-32)52-44-8-4-2-6-38(44)40-22-24-48-30-46(40)52;1-3-9-37-35(7-1)41-39(11-5-25-43-41)45(37)33-21-17-31(18-22-33)27-29-13-15-30(16-14-29)28-32-19-23-34(24-20-32)46-38-10-4-2-8-36(38)42-40(46)12-6-26-44-42;1-3-7-39-35(5-1)37-21-23-43-27-41(37)45(39)33-17-13-31(14-18-33)25-29-9-11-30(12-10-29)26-32-15-19-34(20-16-32)46-40-8-4-2-6-36(40)38-22-24-44-28-42(38)46/h1-40,45-48H,41-44H2;1-32,37-44H,33-36H2;1-26,29-30H,27-28H2;1-24,27-30H,25-26H2;1-26H,27-28H2;1-24,27-28H,25-26H2.
What are the key properties of 5-[4-[3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole;5-[4-[[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole;5-[4-[[6-[5-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[6-[5-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,4-b]indole;8-[4-[3-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-2,2-bis[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]propyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
5-[4-[3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole;5-[4-[[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole;5-[4-[[6-[5-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[6-[5-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,4-b]indole;8-[4-[3-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-2,2-bis[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]propyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 4605.57 g/mol, XLogP of 71.73, 50 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole;5-[4-[[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole;5-[4-[[6-[5-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[6-[5-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,4-b]indole;8-[4-[3-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-2,2-bis[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]propyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 158927878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).