7-[6-[8a,10a-dimethyl-10-(4-methylphenyl)-5,6,7,8,9,10-hexahydroanthracen-2-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-acridine;7-[6-(8a,10a-dimethyl-10-phenyl-5,6,7,8,9,10-hexahydroanthracen-2-yl)-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-phenyl-2,3,4,9-tetrahydro-1H-acridine;6-[6-[4b,8a-dimethyl-9-(4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-9-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrocarbazole;9-(4-fluorophenyl)-6-[6-[9-(4-fluorophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[6-[9-(4-isocyanophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]benzonitrile

C292H281F5N10 — CID 157456909

IUPAC7-[6-[8a,10a-dimethyl-10-(4-methylphenyl)-5,6,7,8,9,10-hexahydroanthracen-2-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-acridine;7-[6-(8a,10a-dimethyl-10-phenyl-5,6,7,8,9,10-hexahydroanthracen-2-yl)-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-phenyl-2,3,4,9-tetrahydro-1H-acridine;6-[6-[4b,8a-dimethyl-9-(4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-9-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrocarbazole;9-(4-fluorophenyl)-6-[6-[9-(4-fluorophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[6-[9-(4-isocyanophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]benzonitrile
SMILESCC12CCCCC1(C)C(c1ccccc1)c1ccc(-c3ccc4c5c6c(ccc35)C=CC(c3ccc5c(c3)CC3(C)CCCCC3(C)N5c3ccccc3)C6=CC4)cc1C2.CC12CCCCC1(C)N(c1ccc(F)cc1)c1ccc(-c3ccc4c5c6c(ccc35)C=CC(c3ccc5c(c3)C3(C)CCCCC3(C)N5c3ccc(F)cc3)C6=CC4)cc12.Cc1ccc(C2c3ccc(-c4ccc5c6c7c(ccc46)C=CC(c4ccc6c(c4)CC4(C)CCCCC4(C)N6c4ccc(C)cc4)C7=CC5)cc3CC3(C)CCCCC23C)cc1.Cc1ccc(N2c3ccc(-c4ccc5c6c7c(ccc46)C=CC(c4ccc6c(c4)C4(C)CCCCC4(C)N6c4ccc(C(F)(F)F)cc4)C7=CC5)cc3C3(C)CCCCC23C)cc1.[C-]#[N+]c1ccc(N2c3ccc(-c4ccc5c6c7c(ccc46)C=CC(c4ccc6c(c4)C4(C)CCCCC4(C)N6c4ccc(C#N)cc4)C7=CC5)cc3C3(C)CCCCC23C)cc1
InChIInChI=1S/C61H63N.C59H59N.C58H55F3N2.C58H52N4.C56H52F2N2/c1-39-11-15-43(16-12-39)57-51-27-21-44(35-46(51)37-58(3)31-7-9-33-60(57,58)5)49-25-17-41-20-29-53-50(26-18-42-19-28-52(49)55(41)56(42)53)45-22-30-54-47(36-45)38-59(4)32-8-10-34-61(59,6)62(54)48-23-13-40(2)14-24-48;1-56-31-11-13-33-58(56,3)55(41-15-7-5-8-16-41)49-27-23-42(35-44(49)37-56)47-25-19-39-22-29-51-48(26-20-40-21-28-50(47)53(39)54(40)51)43-24-30-52-45(36-43)38-57(2)32-12-14-34-59(57,4)60(52)46-17-9-6-10-18-46;1-36-10-20-42(21-11-36)62-50-28-16-39(34-48(50)54(2)30-6-8-32-56(54,62)4)44-24-12-37-15-27-47-45(25-13-38-14-26-46(44)52(37)53(38)47)40-17-29-51-49(35-40)55(3)31-7-9-33-57(55,5)63(51)43-22-18-41(19-23-43)58(59,60)61;1-55-30-6-8-32-57(55,3)61(43-20-10-37(36-59)11-21-43)51-28-16-40(34-49(51)55)45-24-12-38-15-27-48-46(25-13-39-14-26-47(45)53(38)54(39)48)41-17-29-52-50(35-41)56(2)31-7-9-33-58(56,4)62(52)44-22-18-42(60-5)19-23-44;1-53-29-5-7-31-55(53,3)59(41-19-15-39(57)16-20-41)49-27-13-37(33-47(49)53)43-23-9-35-12-26-46-44(24-10-36-11-25-45(43)51(35)52(36)46)38-14-28-50-48(34-38)54(2)30-6-8-32-56(54,4)60(50)42-21-17-40(58)18-22-42/h11-19,21-30,35-36,50,57H,7-10,20,31-34,37-38H2,1-6H3;5-10,15-21,23-30,35-36,48,55H,11-14,22,31-34,37-38H2,1-4H3;10-14,16-29,34-35,45H,6-9,15,30-33H2,1-5H3;10-13,15-29,34-35,45H,6-9,14,30-33H2,1-4H3;9-11,13-28,33-34,44H,5-8,12,29-32H2,1-4H3
InChIKeyBTLVQJXPTFQCNQ-UHFFFAOYSA-N
MW4025.52 g/mol
LogP78.00
Rot. Bonds20

About 7-[6-[8a,10a-dimethyl-10-(4-methylphenyl)-5,6,7,8,9,10-hexahydroanthracen-2-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-acridine;7-[6-(8a,10a-dimethyl-10-phenyl-5,6,7,8,9,10-hexahydroanthracen-2-yl)-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-phenyl-2,3,4,9-tetrahydro-1H-acridine;6-[6-[4b,8a-dimethyl-9-(4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-9-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrocarbazole;9-(4-fluorophenyl)-6-[6-[9-(4-fluorophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[6-[9-(4-isocyanophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]benzonitrile

7-[6-[8a,10a-dimethyl-10-(4-methylphenyl)-5,6,7,8,9,10-hexahydroanthracen-2-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-acridine;7-[6-(8a,10a-dimethyl-10-phenyl-5,6,7,8,9,10-hexahydroanthracen-2-yl)-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-phenyl-2,3,4,9-tetrahydro-1H-acridine;6-[6-[4b,8a-dimethyl-9-(4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-9-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrocarbazole;9-(4-fluorophenyl)-6-[6-[9-(4-fluorophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[6-[9-(4-isocyanophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]benzonitrile (PubChem CID 157456909) has the molecular formula C292H281F5N10 and a molecular weight of 4025.52 g/mol. Its IUPAC name is 7-[6-[8a,10a-dimethyl-10-(4-methylphenyl)-5,6,7,8,9,10-hexahydroanthracen-2-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-acridine;7-[6-(8a,10a-dimethyl-10-phenyl-5,6,7,8,9,10-hexahydroanthracen-2-yl)-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-phenyl-2,3,4,9-tetrahydro-1H-acridine;6-[6-[4b,8a-dimethyl-9-(4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-9-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrocarbazole;9-(4-fluorophenyl)-6-[6-[9-(4-fluorophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[6-[9-(4-isocyanophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name7-[6-[8a,10a-dimethyl-10-(4-methylphenyl)-5,6,7,8,9,10-hexahydroanthracen-2-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-acridine;7-[6-(8a,10a-dimethyl-10-phenyl-5,6,7,8,9,10-hexahydroanthracen-2-yl)-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-phenyl-2,3,4,9-tetrahydro-1H-acridine;6-[6-[4b,8a-dimethyl-9-(4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-9-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrocarbazole;9-(4-fluorophenyl)-6-[6-[9-(4-fluorophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[6-[9-(4-isocyanophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]benzonitrile
PubChem CID157456909
Molecular FormulaC292H281F5N10
Molecular Weight4025.52 g/mol
Exact Mass4022.22
IUPAC Name7-[6-[8a,10a-dimethyl-10-(4-methylphenyl)-5,6,7,8,9,10-hexahydroanthracen-2-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-acridine;7-[6-(8a,10a-dimethyl-10-phenyl-5,6,7,8,9,10-hexahydroanthracen-2-yl)-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-phenyl-2,3,4,9-tetrahydro-1H-acridine;6-[6-[4b,8a-dimethyl-9-(4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-9-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrocarbazole;9-(4-fluorophenyl)-6-[6-[9-(4-fluorophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[6-[9-(4-isocyanophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]benzonitrile
SMILESCC12CCCCC1(C)C(c1ccccc1)c1ccc(-c3ccc4c5c6c(ccc35)C=CC(c3ccc5c(c3)CC3(C)CCCCC3(C)N5c3ccccc3)C6=CC4)cc1C2.CC12CCCCC1(C)N(c1ccc(F)cc1)c1ccc(-c3ccc4c5c6c(ccc35)C=CC(c3ccc5c(c3)C3(C)CCCCC3(C)N5c3ccc(F)cc3)C6=CC4)cc12.Cc1ccc(C2c3ccc(-c4ccc5c6c7c(ccc46)C=CC(c4ccc6c(c4)CC4(C)CCCCC4(C)N6c4ccc(C)cc4)C7=CC5)cc3CC3(C)CCCCC23C)cc1.Cc1ccc(N2c3ccc(-c4ccc5c6c7c(ccc46)C=CC(c4ccc6c(c4)C4(C)CCCCC4(C)N6c4ccc(C(F)(F)F)cc4)C7=CC5)cc3C3(C)CCCCC23C)cc1.[C-]#[N+]c1ccc(N2c3ccc(-c4ccc5c6c7c(ccc46)C=CC(c4ccc6c(c4)C4(C)CCCCC4(C)N6c4ccc(C#N)cc4)C7=CC5)cc3C3(C)CCCCC23C)cc1
InChIInChI=1S/C61H63N.C59H59N.C58H55F3N2.C58H52N4.C56H52F2N2/c1-39-11-15-43(16-12-39)57-51-27-21-44(35-46(51)37-58(3)31-7-9-33-60(57,58)5)49-25-17-41-20-29-53-50(26-18-42-19-28-52(49)55(41)56(42)53)45-22-30-54-47(36-45)38-59(4)32-8-10-34-61(59,6)62(54)48-23-13-40(2)14-24-48;1-56-31-11-13-33-58(56,3)55(41-15-7-5-8-16-41)49-27-23-42(35-44(49)37-56)47-25-19-39-22-29-51-48(26-20-40-21-28-50(47)53(39)54(40)51)43-24-30-52-45(36-43)38-57(2)32-12-14-34-59(57,4)60(52)46-17-9-6-10-18-46;1-36-10-20-42(21-11-36)62-50-28-16-39(34-48(50)54(2)30-6-8-32-56(54,62)4)44-24-12-37-15-27-47-45(25-13-38-14-26-46(44)52(37)53(38)47)40-17-29-51-49(35-40)55(3)31-7-9-33-57(55,5)63(51)43-22-18-41(19-23-43)58(59,60)61;1-55-30-6-8-32-57(55,3)61(43-20-10-37(36-59)11-21-43)51-28-16-40(34-49(51)55)45-24-12-38-15-27-48-46(25-13-39-14-26-47(45)53(38)54(39)48)41-17-29-52-50(35-41)56(2)31-7-9-33-58(56,4)62(52)44-22-18-42(60-5)19-23-44;1-53-29-5-7-31-55(53,3)59(41-19-15-39(57)16-20-41)49-27-13-37(33-47(49)53)43-23-9-35-12-26-46-44(24-10-36-11-25-45(43)51(35)52(36)46)38-14-28-50-48(34-38)54(2)30-6-8-32-56(54,4)60(50)42-21-17-40(58)18-22-42/h11-19,21-30,35-36,50,57H,7-10,20,31-34,37-38H2,1-6H3;5-10,15-21,23-30,35-36,48,55H,11-14,22,31-34,37-38H2,1-4H3;10-14,16-29,34-35,45H,6-9,15,30-33H2,1-5H3;10-13,15-29,34-35,45H,6-9,14,30-33H2,1-4H3;9-11,13-28,33-34,44H,5-8,12,29-32H2,1-4H3
InChIKeyBTLVQJXPTFQCNQ-UHFFFAOYSA-N
XLogP78.00
TPSA54.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms307
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004025.52
LogP ≤ 578.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-[6-[8a,10a-dimethyl-10-(4-methylphenyl)-5,6,7,8,9,10-hexahydroanthracen-2-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-acridine;7-[6-(8a,10a-dimethyl-10-phenyl-5,6,7,8,9,10-hexahydroanthracen-2-yl)-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-phenyl-2,3,4,9-tetrahydro-1H-acridine;6-[6-[4b,8a-dimethyl-9-(4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-9-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrocarbazole;9-(4-fluorophenyl)-6-[6-[9-(4-fluorophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[6-[9-(4-isocyanophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[6-[8a,10a-dimethyl-10-(4-methylphenyl)-5,6,7,8,9,10-hexahydroanthracen-2-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-acridine;7-[6-(8a,10a-dimethyl-10-phenyl-5,6,7,8,9,10-hexahydroanthracen-2-yl)-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-phenyl-2,3,4,9-tetrahydro-1H-acridine;6-[6-[4b,8a-dimethyl-9-(4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-9-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrocarbazole;9-(4-fluorophenyl)-6-[6-[9-(4-fluorophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[6-[9-(4-isocyanophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]benzonitrile?
The IUPAC name of 7-[6-[8a,10a-dimethyl-10-(4-methylphenyl)-5,6,7,8,9,10-hexahydroanthracen-2-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-acridine;7-[6-(8a,10a-dimethyl-10-phenyl-5,6,7,8,9,10-hexahydroanthracen-2-yl)-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-phenyl-2,3,4,9-tetrahydro-1H-acridine;6-[6-[4b,8a-dimethyl-9-(4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-9-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrocarbazole;9-(4-fluorophenyl)-6-[6-[9-(4-fluorophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[6-[9-(4-isocyanophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]benzonitrile (CID 157456909) is 7-[6-[8a,10a-dimethyl-10-(4-methylphenyl)-5,6,7,8,9,10-hexahydroanthracen-2-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-acridine;7-[6-(8a,10a-dimethyl-10-phenyl-5,6,7,8,9,10-hexahydroanthracen-2-yl)-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-phenyl-2,3,4,9-tetrahydro-1H-acridine;6-[6-[4b,8a-dimethyl-9-(4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-9-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrocarbazole;9-(4-fluorophenyl)-6-[6-[9-(4-fluorophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[6-[9-(4-isocyanophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]benzonitrile.
What is the SMILES notation for 7-[6-[8a,10a-dimethyl-10-(4-methylphenyl)-5,6,7,8,9,10-hexahydroanthracen-2-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-acridine;7-[6-(8a,10a-dimethyl-10-phenyl-5,6,7,8,9,10-hexahydroanthracen-2-yl)-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-phenyl-2,3,4,9-tetrahydro-1H-acridine;6-[6-[4b,8a-dimethyl-9-(4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-9-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrocarbazole;9-(4-fluorophenyl)-6-[6-[9-(4-fluorophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[6-[9-(4-isocyanophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]benzonitrile?
The canonical SMILES for 7-[6-[8a,10a-dimethyl-10-(4-methylphenyl)-5,6,7,8,9,10-hexahydroanthracen-2-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-acridine;7-[6-(8a,10a-dimethyl-10-phenyl-5,6,7,8,9,10-hexahydroanthracen-2-yl)-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-phenyl-2,3,4,9-tetrahydro-1H-acridine;6-[6-[4b,8a-dimethyl-9-(4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-9-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrocarbazole;9-(4-fluorophenyl)-6-[6-[9-(4-fluorophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[6-[9-(4-isocyanophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]benzonitrile is CC12CCCCC1(C)C(c1ccccc1)c1ccc(-c3ccc4c5c6c(ccc35)C=CC(c3ccc5c(c3)CC3(C)CCCCC3(C)N5c3ccccc3)C6=CC4)cc1C2.CC12CCCCC1(C)N(c1ccc(F)cc1)c1ccc(-c3ccc4c5c6c(ccc35)C=CC(c3ccc5c(c3)C3(C)CCCCC3(C)N5c3ccc(F)cc3)C6=CC4)cc12.Cc1ccc(C2c3ccc(-c4ccc5c6c7c(ccc46)C=CC(c4ccc6c(c4)CC4(C)CCCCC4(C)N6c4ccc(C)cc4)C7=CC5)cc3CC3(C)CCCCC23C)cc1.Cc1ccc(N2c3ccc(-c4ccc5c6c7c(ccc46)C=CC(c4ccc6c(c4)C4(C)CCCCC4(C)N6c4ccc(C(F)(F)F)cc4)C7=CC5)cc3C3(C)CCCCC23C)cc1.[C-]#[N+]c1ccc(N2c3ccc(-c4ccc5c6c7c(ccc46)C=CC(c4ccc6c(c4)C4(C)CCCCC4(C)N6c4ccc(C#N)cc4)C7=CC5)cc3C3(C)CCCCC23C)cc1.
What is the InChIKey of 7-[6-[8a,10a-dimethyl-10-(4-methylphenyl)-5,6,7,8,9,10-hexahydroanthracen-2-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-acridine;7-[6-(8a,10a-dimethyl-10-phenyl-5,6,7,8,9,10-hexahydroanthracen-2-yl)-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-phenyl-2,3,4,9-tetrahydro-1H-acridine;6-[6-[4b,8a-dimethyl-9-(4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-9-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrocarbazole;9-(4-fluorophenyl)-6-[6-[9-(4-fluorophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[6-[9-(4-isocyanophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]benzonitrile?
The InChIKey is BTLVQJXPTFQCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H63N.C59H59N.C58H55F3N2.C58H52N4.C56H52F2N2/c1-39-11-15-43(16-12-39)57-51-27-21-44(35-46(51)37-58(3)31-7-9-33-60(57,58)5)49-25-17-41-20-29-53-50(26-18-42-19-28-52(49)55(41)56(42)53)45-22-30-54-47(36-45)38-59(4)32-8-10-34-61(59,6)62(54)48-23-13-40(2)14-24-48;1-56-31-11-13-33-58(56,3)55(41-15-7-5-8-16-41)49-27-23-42(35-44(49)37-56)47-25-19-39-22-29-51-48(26-20-40-21-28-50(47)53(39)54(40)51)43-24-30-52-45(36-43)38-57(2)32-12-14-34-59(57,4)60(52)46-17-9-6-10-18-46;1-36-10-20-42(21-11-36)62-50-28-16-39(34-48(50)54(2)30-6-8-32-56(54,62)4)44-24-12-37-15-27-47-45(25-13-38-14-26-46(44)52(37)53(38)47)40-17-29-51-49(35-40)55(3)31-7-9-33-57(55,5)63(51)43-22-18-41(19-23-43)58(59,60)61;1-55-30-6-8-32-57(55,3)61(43-20-10-37(36-59)11-21-43)51-28-16-40(34-49(51)55)45-24-12-38-15-27-48-46(25-13-39-14-26-47(45)53(38)54(39)48)41-17-29-52-50(35-41)56(2)31-7-9-33-58(56,4)62(52)44-22-18-42(60-5)19-23-44;1-53-29-5-7-31-55(53,3)59(41-19-15-39(57)16-20-41)49-27-13-37(33-47(49)53)43-23-9-35-12-26-46-44(24-10-36-11-25-45(43)51(35)52(36)46)38-14-28-50-48(34-38)54(2)30-6-8-32-56(54,4)60(50)42-21-17-40(58)18-22-42/h11-19,21-30,35-36,50,57H,7-10,20,31-34,37-38H2,1-6H3;5-10,15-21,23-30,35-36,48,55H,11-14,22,31-34,37-38H2,1-4H3;10-14,16-29,34-35,45H,6-9,15,30-33H2,1-5H3;10-13,15-29,34-35,45H,6-9,14,30-33H2,1-4H3;9-11,13-28,33-34,44H,5-8,12,29-32H2,1-4H3.
What are the key properties of 7-[6-[8a,10a-dimethyl-10-(4-methylphenyl)-5,6,7,8,9,10-hexahydroanthracen-2-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-acridine;7-[6-(8a,10a-dimethyl-10-phenyl-5,6,7,8,9,10-hexahydroanthracen-2-yl)-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-phenyl-2,3,4,9-tetrahydro-1H-acridine;6-[6-[4b,8a-dimethyl-9-(4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-9-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrocarbazole;9-(4-fluorophenyl)-6-[6-[9-(4-fluorophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[6-[9-(4-isocyanophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]benzonitrile?
7-[6-[8a,10a-dimethyl-10-(4-methylphenyl)-5,6,7,8,9,10-hexahydroanthracen-2-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-acridine;7-[6-(8a,10a-dimethyl-10-phenyl-5,6,7,8,9,10-hexahydroanthracen-2-yl)-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-phenyl-2,3,4,9-tetrahydro-1H-acridine;6-[6-[4b,8a-dimethyl-9-(4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-9-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrocarbazole;9-(4-fluorophenyl)-6-[6-[9-(4-fluorophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[6-[9-(4-isocyanophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]benzonitrile has a molecular weight of 4025.52 g/mol, XLogP of 78.00, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[8a,10a-dimethyl-10-(4-methylphenyl)-5,6,7,8,9,10-hexahydroanthracen-2-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-acridine;7-[6-(8a,10a-dimethyl-10-phenyl-5,6,7,8,9,10-hexahydroanthracen-2-yl)-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-10-phenyl-2,3,4,9-tetrahydro-1H-acridine;6-[6-[4b,8a-dimethyl-9-(4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-9-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrocarbazole;9-(4-fluorophenyl)-6-[6-[9-(4-fluorophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[6-[9-(4-isocyanophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-1,9-dihydropyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]benzonitrile is sourced from PubChem (CID 157456909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).