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

C221H164F12N20 — CID 159026257

IUPAC4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)-3-methylphenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2,5-dimethyl-4-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-5-phenylpyrido[4,3-b]indole;5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;8-phenyl-4-[4-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESCc1cc(-c2ccc3c(c2)c2cnccc2n3-c2ccccc2)c(C)cc1-c1ccc2c(c1)c1cnccc1n2-c1ccccc1.Cc1cc(C)c(-c2ccc(-n3c4ccncc4c4cc(-c5cc(C(F)(F)F)c(-c6ccc7c(c6)c6cnccc6n7-c6ccc(-c7c(C)cc(C(F)(F)F)cc7C(F)(F)F)cc6)cc5C)ccc43)cc2)c(C(F)(F)F)c1.Cc1ccc(-c2ccc(-n3c4ncc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)cnc43)cc2)c(C)c1.Cc1ccc(-c2ccc3c(n2)c2nc(-c4ccc(C)cc4C)ccc2n3-c2ccc(-c3ccc(C)cc3C)c(C)c2)c(C)c1.c1ccc(-n2c3cnccc3c3cc(-c4ccc(-c5cc6c7ccncc7n(-c7ccccc7)c6cn5)cc4)ncc32)cc1
InChIInChI=1S/C60H38F12N4.C42H30N4.C41H37N3.C40H35N3.C38H24N6/c1-31-21-33(3)55(49(22-31)59(67,68)69)35-5-11-40(12-6-35)75-51-15-9-37(25-44(51)46-29-73-19-17-53(46)75)42-28-48(58(64,65)66)43(24-32(42)2)38-10-16-52-45(26-38)47-30-74-20-18-54(47)76(52)41-13-7-36(8-14-41)56-34(4)23-39(57(61,62)63)27-50(56)60(70,71)72;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;1-24-8-12-32(27(4)20-24)33-15-11-31(23-30(33)7)44-38-18-16-36(34-13-9-25(2)21-28(34)5)42-40(38)41-39(44)19-17-37(43-41)35-14-10-26(3)22-29(35)6;1-24-7-14-34(27(4)17-24)30-10-12-33(13-11-30)43-39-37(20-31(22-41-39)35-15-8-25(2)18-28(35)5)38-21-32(23-42-40(38)43)36-16-9-26(3)19-29(36)6;1-3-7-27(8-4-1)43-35-21-39-17-15-29(35)31-19-33(41-23-37(31)43)25-11-13-26(14-12-25)34-20-32-30-16-18-40-22-36(30)44(38(32)24-42-34)28-9-5-2-6-10-28/h5-30H,1-4H3;3-26H,1-2H3;8-23H,1-7H3;7-23H,1-6H3;1-24H
InChIKeyJUHWAFXEIUHWRW-UHFFFAOYSA-N
MW3327.86 g/mol
LogP59.22
Rot. Bonds22

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

4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)-3-methylphenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2,5-dimethyl-4-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-5-phenylpyrido[4,3-b]indole;5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;8-phenyl-4-[4-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 159026257) has the molecular formula C221H164F12N20 and a molecular weight of 3327.86 g/mol. Its IUPAC name is 4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)-3-methylphenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2,5-dimethyl-4-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-5-phenylpyrido[4,3-b]indole;5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;8-phenyl-4-[4-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)-3-methylphenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2,5-dimethyl-4-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-5-phenylpyrido[4,3-b]indole;5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;8-phenyl-4-[4-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID159026257
Molecular FormulaC221H164F12N20
Molecular Weight3327.86 g/mol
Exact Mass3325.33
IUPAC Name4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)-3-methylphenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2,5-dimethyl-4-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-5-phenylpyrido[4,3-b]indole;5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;8-phenyl-4-[4-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESCc1cc(-c2ccc3c(c2)c2cnccc2n3-c2ccccc2)c(C)cc1-c1ccc2c(c1)c1cnccc1n2-c1ccccc1.Cc1cc(C)c(-c2ccc(-n3c4ccncc4c4cc(-c5cc(C(F)(F)F)c(-c6ccc7c(c6)c6cnccc6n7-c6ccc(-c7c(C)cc(C(F)(F)F)cc7C(F)(F)F)cc6)cc5C)ccc43)cc2)c(C(F)(F)F)c1.Cc1ccc(-c2ccc(-n3c4ncc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)cnc43)cc2)c(C)c1.Cc1ccc(-c2ccc3c(n2)c2nc(-c4ccc(C)cc4C)ccc2n3-c2ccc(-c3ccc(C)cc3C)c(C)c2)c(C)c1.c1ccc(-n2c3cnccc3c3cc(-c4ccc(-c5cc6c7ccncc7n(-c7ccccc7)c6cn5)cc4)ncc32)cc1
InChIInChI=1S/C60H38F12N4.C42H30N4.C41H37N3.C40H35N3.C38H24N6/c1-31-21-33(3)55(49(22-31)59(67,68)69)35-5-11-40(12-6-35)75-51-15-9-37(25-44(51)46-29-73-19-17-53(46)75)42-28-48(58(64,65)66)43(24-32(42)2)38-10-16-52-45(26-38)47-30-74-20-18-54(47)76(52)41-13-7-36(8-14-41)56-34(4)23-39(57(61,62)63)27-50(56)60(70,71)72;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;1-24-8-12-32(27(4)20-24)33-15-11-31(23-30(33)7)44-38-18-16-36(34-13-9-25(2)21-28(34)5)42-40(38)41-39(44)19-17-37(43-41)35-14-10-26(3)22-29(35)6;1-24-7-14-34(27(4)17-24)30-10-12-33(13-11-30)43-39-37(20-31(22-41-39)35-15-8-25(2)18-28(35)5)38-21-32(23-42-40(38)43)36-16-9-26(3)19-29(36)6;1-3-7-27(8-4-1)43-35-21-39-17-15-29(35)31-19-33(41-23-37(31)43)25-11-13-26(14-12-25)34-20-32-30-16-18-40-22-36(30)44(38(32)24-42-34)28-9-5-2-6-10-28/h5-30H,1-4H3;3-26H,1-2H3;8-23H,1-7H3;7-23H,1-6H3;1-24H
InChIKeyJUHWAFXEIUHWRW-UHFFFAOYSA-N
XLogP59.22
TPSA194.12 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms253
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003327.86
LogP ≤ 559.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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

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Related Compounds

5-(1-Methyl-2,3-dihydroindol-7-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 178255053
5-(1-Methylindol-7-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 178255054
[Fe(TpCF3PP)(NO)(1-MeIm)]
CID 139115160
13-(Trifluoromethyl)benzo[4,5]imidazo[1,2-a][1,10]phenanthroline
CID 139192824
2-[3,5-Bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
CID 20606860
2-[3,5-Bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-fluorophenyl)imidazo[4,5-b]pyridine
CID 23391300
9-[3-Fluoro-5-[6-[6-(4-pyrido[2,3-b]indol-9-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[2,3-b]indole
CID 58099056
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
CID 58401845
9-[4-[2-Pyridin-2-yl-6-[10-(trifluoromethyl)phenanthren-2-yl]pyridin-4-yl]phenyl]pyrido[2,3-b]indole
CID 59325979
4-[2,5-Dimethyl-4-[8-[4-(trifluoromethyl)phenyl]-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
CID 59344196
N,N-dimethyl-3,7-bis[3-methyl-4-phenyl-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine
CID 59346166
N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine
CID 59346179

Frequently Asked Questions

What is the IUPAC name of 4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)-3-methylphenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2,5-dimethyl-4-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-5-phenylpyrido[4,3-b]indole;5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;8-phenyl-4-[4-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)-3-methylphenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2,5-dimethyl-4-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-5-phenylpyrido[4,3-b]indole;5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;8-phenyl-4-[4-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 159026257) is 4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)-3-methylphenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2,5-dimethyl-4-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-5-phenylpyrido[4,3-b]indole;5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;8-phenyl-4-[4-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)-3-methylphenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2,5-dimethyl-4-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-5-phenylpyrido[4,3-b]indole;5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;8-phenyl-4-[4-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)-3-methylphenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2,5-dimethyl-4-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-5-phenylpyrido[4,3-b]indole;5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;8-phenyl-4-[4-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is Cc1cc(-c2ccc3c(c2)c2cnccc2n3-c2ccccc2)c(C)cc1-c1ccc2c(c1)c1cnccc1n2-c1ccccc1.Cc1cc(C)c(-c2ccc(-n3c4ccncc4c4cc(-c5cc(C(F)(F)F)c(-c6ccc7c(c6)c6cnccc6n7-c6ccc(-c7c(C)cc(C(F)(F)F)cc7C(F)(F)F)cc6)cc5C)ccc43)cc2)c(C(F)(F)F)c1.Cc1ccc(-c2ccc(-n3c4ncc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)cnc43)cc2)c(C)c1.Cc1ccc(-c2ccc3c(n2)c2nc(-c4ccc(C)cc4C)ccc2n3-c2ccc(-c3ccc(C)cc3C)c(C)c2)c(C)c1.c1ccc(-n2c3cnccc3c3cc(-c4ccc(-c5cc6c7ccncc7n(-c7ccccc7)c6cn5)cc4)ncc32)cc1.
What is the InChIKey of 4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)-3-methylphenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2,5-dimethyl-4-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-5-phenylpyrido[4,3-b]indole;5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;8-phenyl-4-[4-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is JUHWAFXEIUHWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38F12N4.C42H30N4.C41H37N3.C40H35N3.C38H24N6/c1-31-21-33(3)55(49(22-31)59(67,68)69)35-5-11-40(12-6-35)75-51-15-9-37(25-44(51)46-29-73-19-17-53(46)75)42-28-48(58(64,65)66)43(24-32(42)2)38-10-16-52-45(26-38)47-30-74-20-18-54(47)76(52)41-13-7-36(8-14-41)56-34(4)23-39(57(61,62)63)27-50(56)60(70,71)72;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;1-24-8-12-32(27(4)20-24)33-15-11-31(23-30(33)7)44-38-18-16-36(34-13-9-25(2)21-28(34)5)42-40(38)41-39(44)19-17-37(43-41)35-14-10-26(3)22-29(35)6;1-24-7-14-34(27(4)17-24)30-10-12-33(13-11-30)43-39-37(20-31(22-41-39)35-15-8-25(2)18-28(35)5)38-21-32(23-42-40(38)43)36-16-9-26(3)19-29(36)6;1-3-7-27(8-4-1)43-35-21-39-17-15-29(35)31-19-33(41-23-37(31)43)25-11-13-26(14-12-25)34-20-32-30-16-18-40-22-36(30)44(38(32)24-42-34)28-9-5-2-6-10-28/h5-30H,1-4H3;3-26H,1-2H3;8-23H,1-7H3;7-23H,1-6H3;1-24H.
What are the key properties of 4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)-3-methylphenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2,5-dimethyl-4-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-5-phenylpyrido[4,3-b]indole;5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;8-phenyl-4-[4-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)-3-methylphenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2,5-dimethyl-4-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-5-phenylpyrido[4,3-b]indole;5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;8-phenyl-4-[4-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 3327.86 g/mol, XLogP of 59.22, 22 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)-3-methylphenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(2,4-dimethylphenyl)-8-[4-(2,4-dimethylphenyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2,5-dimethyl-4-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-5-phenylpyrido[4,3-b]indole;5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;8-phenyl-4-[4-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 159026257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).