5-cyclohexyl-8-[4-(5-cyclohexylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[2,5-dimethyl-4-[8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-12-yl]phenyl]-8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-[4-(trifluoromethyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-ethyl-8-[4-(5-ethylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;5-ethyl-8-[4-(9-ethylpyrido[3,4-b]indol-6-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole

C236H195F3N30 — CID 159548310

IUPAC5-cyclohexyl-8-[4-(5-cyclohexylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[2,5-dimethyl-4-[8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-12-yl]phenyl]-8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-[4-(trifluoromethyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-ethyl-8-[4-(5-ethylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;5-ethyl-8-[4-(9-ethylpyrido[3,4-b]indol-6-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole
SMILESCCn1c2ccncc2c2cc(-c3cc(C)c(-c4ccc5c(c4)c4ccncc4n5CC)cc3C)ccc21.CCn1c2ccncc2c2cc(-c3cc(C)c(-c4ccc5c(c4)c4cnccc4n5CC)cc3C)ccc21.Cc1cc(-c2ccc3c(c2)c2cnccc2n3C2CCCCC2)c(C)cc1-c1ccc2c(c1)c1cnccc1n2C1CCCCC1.Cc1ccc(-n2c3cccnc3c3nc(-c4cc(C)c(-c5ccc6c(n5)c5ncccc5n6-c5ccc(C)cc5)cc4C)ccc32)cc1.Cc1ccc(-n2c3ccncc3c3cc(-c4cc(C)c(-c5cc6c7cnccc7n(-c7ccc(C)cc7)c6cn5)cc4C)ncc32)cc1.Cc1ccc(-n2c3ncccc3c3cc(-c4cc(C)c(-c5cnc6c(c5)c5cccnc5n6-c5ccc(C(F)(F)F)cc5)cc4C)cnc32)cc1
InChIInChI=1S/C42H29F3N6.2C42H32N6.C42H42N4.2C34H30N4/c1-24-8-12-30(13-9-24)50-38-32(6-4-16-46-38)36-20-27(22-48-40(36)50)34-18-26(3)35(19-25(34)2)28-21-37-33-7-5-17-47-39(33)51(41(37)49-23-28)31-14-10-29(11-15-31)42(43,44)45;1-25-5-9-29(10-6-25)47-39-13-15-43-21-35(39)33-19-37(45-23-41(33)47)31-17-28(4)32(18-27(31)3)38-20-34-36-22-44-16-14-40(36)48(42(34)24-46-38)30-11-7-26(2)8-12-30;1-25-9-13-29(14-10-25)47-35-7-5-21-43-39(35)41-37(47)19-17-33(45-41)31-23-28(4)32(24-27(31)3)34-18-20-38-42(46-34)40-36(8-6-22-44-40)48(38)30-15-11-26(2)12-16-30;1-27-21-34(30-14-16-40-36(24-30)38-26-44-20-18-42(38)46(40)32-11-7-4-8-12-32)28(2)22-33(27)29-13-15-39-35(23-29)37-25-43-19-17-41(37)45(39)31-9-5-3-6-10-31;1-5-37-31-9-7-23(17-27(31)29-19-35-13-11-33(29)37)25-15-22(4)26(16-21(25)3)24-8-10-32-28(18-24)30-20-36-14-12-34(30)38(32)6-2;1-5-37-32-10-8-24(18-29(32)30-19-35-14-12-33(30)37)27-16-21(3)26(15-22(27)4)23-7-9-31-28(17-23)25-11-13-36-20-34(25)38(31)6-2/h4-23H,1-3H3;2*5-24H,1-4H3;13-26,31-32H,3-12H2,1-2H3;2*7-20H,5-6H2,1-4H3
InChIKeyMFBOUMZXWNLCMJ-UHFFFAOYSA-N
MW3508.36 g/mol
LogP59.82
Rot. Bonds24

About 5-cyclohexyl-8-[4-(5-cyclohexylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[2,5-dimethyl-4-[8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-12-yl]phenyl]-8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-[4-(trifluoromethyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-ethyl-8-[4-(5-ethylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;5-ethyl-8-[4-(9-ethylpyrido[3,4-b]indol-6-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole

5-cyclohexyl-8-[4-(5-cyclohexylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[2,5-dimethyl-4-[8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-12-yl]phenyl]-8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-[4-(trifluoromethyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-ethyl-8-[4-(5-ethylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;5-ethyl-8-[4-(9-ethylpyrido[3,4-b]indol-6-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole (PubChem CID 159548310) has the molecular formula C236H195F3N30 and a molecular weight of 3508.36 g/mol. Its IUPAC name is 5-cyclohexyl-8-[4-(5-cyclohexylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[2,5-dimethyl-4-[8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-12-yl]phenyl]-8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-[4-(trifluoromethyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-ethyl-8-[4-(5-ethylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;5-ethyl-8-[4-(9-ethylpyrido[3,4-b]indol-6-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-cyclohexyl-8-[4-(5-cyclohexylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[2,5-dimethyl-4-[8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-12-yl]phenyl]-8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-[4-(trifluoromethyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-ethyl-8-[4-(5-ethylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;5-ethyl-8-[4-(9-ethylpyrido[3,4-b]indol-6-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole
PubChem CID159548310
Molecular FormulaC236H195F3N30
Molecular Weight3508.36 g/mol
Exact Mass3505.61
IUPAC Name5-cyclohexyl-8-[4-(5-cyclohexylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[2,5-dimethyl-4-[8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-12-yl]phenyl]-8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-[4-(trifluoromethyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-ethyl-8-[4-(5-ethylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;5-ethyl-8-[4-(9-ethylpyrido[3,4-b]indol-6-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole
SMILESCCn1c2ccncc2c2cc(-c3cc(C)c(-c4ccc5c(c4)c4ccncc4n5CC)cc3C)ccc21.CCn1c2ccncc2c2cc(-c3cc(C)c(-c4ccc5c(c4)c4cnccc4n5CC)cc3C)ccc21.Cc1cc(-c2ccc3c(c2)c2cnccc2n3C2CCCCC2)c(C)cc1-c1ccc2c(c1)c1cnccc1n2C1CCCCC1.Cc1ccc(-n2c3cccnc3c3nc(-c4cc(C)c(-c5ccc6c(n5)c5ncccc5n6-c5ccc(C)cc5)cc4C)ccc32)cc1.Cc1ccc(-n2c3ccncc3c3cc(-c4cc(C)c(-c5cc6c7cnccc7n(-c7ccc(C)cc7)c6cn5)cc4C)ncc32)cc1.Cc1ccc(-n2c3ncccc3c3cc(-c4cc(C)c(-c5cnc6c(c5)c5cccnc5n6-c5ccc(C(F)(F)F)cc5)cc4C)cnc32)cc1
InChIInChI=1S/C42H29F3N6.2C42H32N6.C42H42N4.2C34H30N4/c1-24-8-12-30(13-9-24)50-38-32(6-4-16-46-38)36-20-27(22-48-40(36)50)34-18-26(3)35(19-25(34)2)28-21-37-33-7-5-17-47-39(33)51(41(37)49-23-28)31-14-10-29(11-15-31)42(43,44)45;1-25-5-9-29(10-6-25)47-39-13-15-43-21-35(39)33-19-37(45-23-41(33)47)31-17-28(4)32(18-27(31)3)38-20-34-36-22-44-16-14-40(36)48(42(34)24-46-38)30-11-7-26(2)8-12-30;1-25-9-13-29(14-10-25)47-35-7-5-21-43-39(35)41-37(47)19-17-33(45-41)31-23-28(4)32(24-27(31)3)34-18-20-38-42(46-34)40-36(8-6-22-44-40)48(38)30-15-11-26(2)12-16-30;1-27-21-34(30-14-16-40-36(24-30)38-26-44-20-18-42(38)46(40)32-11-7-4-8-12-32)28(2)22-33(27)29-13-15-39-35(23-29)37-25-43-19-17-41(37)45(39)31-9-5-3-6-10-31;1-5-37-31-9-7-23(17-27(31)29-19-35-13-11-33(29)37)25-15-22(4)26(16-21(25)3)24-8-10-32-28(18-24)30-20-36-14-12-34(30)38(32)6-2;1-5-37-32-10-8-24(18-29(32)30-19-35-14-12-33(30)37)27-16-21(3)26(15-22(27)4)23-7-9-31-28(17-23)25-11-13-36-20-34(25)38(31)6-2/h4-23H,1-3H3;2*5-24H,1-4H3;13-26,31-32H,3-12H2,1-2H3;2*7-20H,5-6H2,1-4H3
InChIKeyMFBOUMZXWNLCMJ-UHFFFAOYSA-N
XLogP59.82
TPSA291.18 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms269
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003508.36
LogP ≤ 559.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 5-cyclohexyl-8-[4-(5-cyclohexylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[2,5-dimethyl-4-[8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-12-yl]phenyl]-8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-[4-(trifluoromethyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-ethyl-8-[4-(5-ethylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;5-ethyl-8-[4-(9-ethylpyrido[3,4-b]indol-6-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-8-[4-(5-cyclohexylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[2,5-dimethyl-4-[8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-12-yl]phenyl]-8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-[4-(trifluoromethyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-ethyl-8-[4-(5-ethylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;5-ethyl-8-[4-(9-ethylpyrido[3,4-b]indol-6-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole?
The IUPAC name of 5-cyclohexyl-8-[4-(5-cyclohexylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[2,5-dimethyl-4-[8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-12-yl]phenyl]-8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-[4-(trifluoromethyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-ethyl-8-[4-(5-ethylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;5-ethyl-8-[4-(9-ethylpyrido[3,4-b]indol-6-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole (CID 159548310) is 5-cyclohexyl-8-[4-(5-cyclohexylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[2,5-dimethyl-4-[8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-12-yl]phenyl]-8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-[4-(trifluoromethyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-ethyl-8-[4-(5-ethylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;5-ethyl-8-[4-(9-ethylpyrido[3,4-b]indol-6-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-cyclohexyl-8-[4-(5-cyclohexylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[2,5-dimethyl-4-[8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-12-yl]phenyl]-8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-[4-(trifluoromethyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-ethyl-8-[4-(5-ethylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;5-ethyl-8-[4-(9-ethylpyrido[3,4-b]indol-6-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-cyclohexyl-8-[4-(5-cyclohexylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[2,5-dimethyl-4-[8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-12-yl]phenyl]-8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-[4-(trifluoromethyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-ethyl-8-[4-(5-ethylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;5-ethyl-8-[4-(9-ethylpyrido[3,4-b]indol-6-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole is CCn1c2ccncc2c2cc(-c3cc(C)c(-c4ccc5c(c4)c4ccncc4n5CC)cc3C)ccc21.CCn1c2ccncc2c2cc(-c3cc(C)c(-c4ccc5c(c4)c4cnccc4n5CC)cc3C)ccc21.Cc1cc(-c2ccc3c(c2)c2cnccc2n3C2CCCCC2)c(C)cc1-c1ccc2c(c1)c1cnccc1n2C1CCCCC1.Cc1ccc(-n2c3cccnc3c3nc(-c4cc(C)c(-c5ccc6c(n5)c5ncccc5n6-c5ccc(C)cc5)cc4C)ccc32)cc1.Cc1ccc(-n2c3ccncc3c3cc(-c4cc(C)c(-c5cc6c7cnccc7n(-c7ccc(C)cc7)c6cn5)cc4C)ncc32)cc1.Cc1ccc(-n2c3ncccc3c3cc(-c4cc(C)c(-c5cnc6c(c5)c5cccnc5n6-c5ccc(C(F)(F)F)cc5)cc4C)cnc32)cc1.
What is the InChIKey of 5-cyclohexyl-8-[4-(5-cyclohexylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[2,5-dimethyl-4-[8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-12-yl]phenyl]-8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-[4-(trifluoromethyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-ethyl-8-[4-(5-ethylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;5-ethyl-8-[4-(9-ethylpyrido[3,4-b]indol-6-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole?
The InChIKey is MFBOUMZXWNLCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29F3N6.2C42H32N6.C42H42N4.2C34H30N4/c1-24-8-12-30(13-9-24)50-38-32(6-4-16-46-38)36-20-27(22-48-40(36)50)34-18-26(3)35(19-25(34)2)28-21-37-33-7-5-17-47-39(33)51(41(37)49-23-28)31-14-10-29(11-15-31)42(43,44)45;1-25-5-9-29(10-6-25)47-39-13-15-43-21-35(39)33-19-37(45-23-41(33)47)31-17-28(4)32(18-27(31)3)38-20-34-36-22-44-16-14-40(36)48(42(34)24-46-38)30-11-7-26(2)8-12-30;1-25-9-13-29(14-10-25)47-35-7-5-21-43-39(35)41-37(47)19-17-33(45-41)31-23-28(4)32(24-27(31)3)34-18-20-38-42(46-34)40-36(8-6-22-44-40)48(38)30-15-11-26(2)12-16-30;1-27-21-34(30-14-16-40-36(24-30)38-26-44-20-18-42(38)46(40)32-11-7-4-8-12-32)28(2)22-33(27)29-13-15-39-35(23-29)37-25-43-19-17-41(37)45(39)31-9-5-3-6-10-31;1-5-37-31-9-7-23(17-27(31)29-19-35-13-11-33(29)37)25-15-22(4)26(16-21(25)3)24-8-10-32-28(18-24)30-20-36-14-12-34(30)38(32)6-2;1-5-37-32-10-8-24(18-29(32)30-19-35-14-12-33(30)37)27-16-21(3)26(15-22(27)4)23-7-9-31-28(17-23)25-11-13-36-20-34(25)38(31)6-2/h4-23H,1-3H3;2*5-24H,1-4H3;13-26,31-32H,3-12H2,1-2H3;2*7-20H,5-6H2,1-4H3.
What are the key properties of 5-cyclohexyl-8-[4-(5-cyclohexylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[2,5-dimethyl-4-[8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-12-yl]phenyl]-8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-[4-(trifluoromethyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-ethyl-8-[4-(5-ethylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;5-ethyl-8-[4-(9-ethylpyrido[3,4-b]indol-6-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole?
5-cyclohexyl-8-[4-(5-cyclohexylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[2,5-dimethyl-4-[8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-12-yl]phenyl]-8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-[4-(trifluoromethyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-ethyl-8-[4-(5-ethylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;5-ethyl-8-[4-(9-ethylpyrido[3,4-b]indol-6-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole has a molecular weight of 3508.36 g/mol, XLogP of 59.82, 24 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-8-[4-(5-cyclohexylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-(4-methylphenyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[2,5-dimethyl-4-[8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-12-yl]phenyl]-8-(4-methylphenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;4-[2,5-dimethyl-4-[8-(4-methylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-[4-(trifluoromethyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-ethyl-8-[4-(5-ethylpyrido[4,3-b]indol-8-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole;5-ethyl-8-[4-(9-ethylpyrido[3,4-b]indol-6-yl)-2,5-dimethylphenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 159548310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).