4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;tri(quinolin-8-yloxy)alumane

C143H110AlF9N18O3 — CID 158788116

IUPAC4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;tri(quinolin-8-yloxy)alumane
SMILESCc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C)nc3c2n1.Cc1cccc(N(c2ccccc2)c2cc(C)c(N(c3cc(C)c(N(c4ccccc4)c4cccc(C)c4)cc3C)c3cc(C)c(N(c4ccccc4)c4cccc(C)c4)cc3C)cc2C)c1.FC(F)(F)c1nc2ccccc2n1-c1nc(-n2c(C(F)(F)F)nc3ccccc32)nc(-n2c(C(F)(F)F)nc3ccccc32)n1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C63H60N4.C27H12F9N9.C26H20N2.3C9H7NO.Al/c1-43-22-19-31-55(34-43)64(52-25-13-10-14-26-52)58-37-49(7)61(40-46(58)4)67(62-41-47(5)59(38-50(62)8)65(53-27-15-11-16-28-53)56-32-20-23-44(2)35-56)63-42-48(6)60(39-51(63)9)66(54-29-17-12-18-30-54)57-33-21-24-45(3)36-57;28-25(29,30)19-37-13-7-1-4-10-16(13)43(19)22-40-23(44-17-11-5-2-8-14(17)38-20(44)26(31,32)33)42-24(41-22)45-18-12-6-3-9-15(18)39-21(45)27(34,35)36;1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h10-42H,1-9H3;1-12H;3-16H,1-2H3;3*1-6,11H;/q;;;;;;+3/p-3
InChIKeyIRXZMUHXGWRPBU-UHFFFAOYSA-K
MW2326.54 g/mol
LogP37.87
Rot. Bonds23

About 4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;tri(quinolin-8-yloxy)alumane

4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;tri(quinolin-8-yloxy)alumane (PubChem CID 158788116) has the molecular formula C143H110AlF9N18O3 and a molecular weight of 2326.54 g/mol. Its IUPAC name is 4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;tri(quinolin-8-yloxy)alumane.

Molecular Properties

Compound Name4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;tri(quinolin-8-yloxy)alumane
PubChem CID158788116
Molecular FormulaC143H110AlF9N18O3
Molecular Weight2326.54 g/mol
Exact Mass2324.87
IUPAC Name4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;tri(quinolin-8-yloxy)alumane
SMILESCc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C)nc3c2n1.Cc1cccc(N(c2ccccc2)c2cc(C)c(N(c3cc(C)c(N(c4ccccc4)c4cccc(C)c4)cc3C)c3cc(C)c(N(c4ccccc4)c4cccc(C)c4)cc3C)cc2C)c1.FC(F)(F)c1nc2ccccc2n1-c1nc(-n2c(C(F)(F)F)nc3ccccc32)nc(-n2c(C(F)(F)F)nc3ccccc32)n1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C63H60N4.C27H12F9N9.C26H20N2.3C9H7NO.Al/c1-43-22-19-31-55(34-43)64(52-25-13-10-14-26-52)58-37-49(7)61(40-46(58)4)67(62-41-47(5)59(38-50(62)8)65(53-27-15-11-16-28-53)56-32-20-23-44(2)35-56)63-42-48(6)60(39-51(63)9)66(54-29-17-12-18-30-54)57-33-21-24-45(3)36-57;28-25(29,30)19-37-13-7-1-4-10-16(13)43(19)22-40-23(44-17-11-5-2-8-14(17)38-20(44)26(31,32)33)42-24(41-22)45-18-12-6-3-9-15(18)39-21(45)27(34,35)36;1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h10-42H,1-9H3;1-12H;3-16H,1-2H3;3*1-6,11H;/q;;;;;;+3/p-3
InChIKeyIRXZMUHXGWRPBU-UHFFFAOYSA-K
XLogP37.87
TPSA197.23 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds23
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002326.54
LogP ≤ 537.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;tri(quinolin-8-yloxy)alumane with MolForge

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Related Compounds

CID 157251634
CID 157251634
9-[4-Carbazol-9-yl-2,5-di(pyrimidin-5-yl)phenyl]carbazole;9-[4-carbazol-9-yl-2-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2,4,6-tris(2,3,4,5,6-pentafluorophenyl)-3,5-di(phenoxazin-10-yl)phenyl]phenoxazine
CID 157336625
9-methyl-2-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-f]phenanthridin-5-ide;platinum;tri(quinolin-8-yloxy)alumane
CID 157896215
CID 159204676
CID 159204676
CID 159881570
CID 159881570
CID 161440491
CID 161440491
CID 161729135
CID 161729135
CID 161886750
CID 161886750
2-[4-[3-[4-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(6-tert-butyl-1,1,2,3,3-pentadeuterio-2-phenylinden-5-yl)benzimidazol-2-yl]-5-tert-butylphenol;2-[4-[3-[4-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-[2-deuterio-1,1,3,3-tetramethyl-2-phenyl-6-(trideuteriomethyl)inden-5-yl]benzimidazol-2-yl]phenol;5-tert-butyl-2-[4-[3-tert-butyl-5-[4-(2-deuterio-1,1,3,3-tetramethyl-2-phenylinden-5-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum;platinum(2+);5,5,7,7-tetrafluoro-3-(1H-naphthalen-1-id-2-yl)-6-phenyl-1-[2-[6-(7-phenyl-3H-naphthalen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-6H-cyclopenta[c]pyridine
CID 163759081
Tetrakis(acetonitrile);ethanol;bis(europium(3+));hexakis(2-(1-methylbenzimidazol-2-yl)quinolin-8-olate)
CID 139128386
Bis(acetonitrile);tris(2-(1-butyl-6-methylbenzimidazol-2-yl)quinolin-8-olate);lanthanum(3+)
CID 139128387
2-[1-(3,5-Dimethylphenyl)-2-indol-1-id-7-ylbenzimidazol-4-yl]-4-phenylquinolin-8-ol;platinum
CID 145741546

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;tri(quinolin-8-yloxy)alumane?
The IUPAC name of 4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;tri(quinolin-8-yloxy)alumane (CID 158788116) is 4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;tri(quinolin-8-yloxy)alumane.
What is the SMILES notation for 4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;tri(quinolin-8-yloxy)alumane?
The canonical SMILES for 4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;tri(quinolin-8-yloxy)alumane is Cc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C)nc3c2n1.Cc1cccc(N(c2ccccc2)c2cc(C)c(N(c3cc(C)c(N(c4ccccc4)c4cccc(C)c4)cc3C)c3cc(C)c(N(c4ccccc4)c4cccc(C)c4)cc3C)cc2C)c1.FC(F)(F)c1nc2ccccc2n1-c1nc(-n2c(C(F)(F)F)nc3ccccc32)nc(-n2c(C(F)(F)F)nc3ccccc32)n1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1.
What is the InChIKey of 4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;tri(quinolin-8-yloxy)alumane?
The InChIKey is IRXZMUHXGWRPBU-UHFFFAOYSA-K. The full InChI is InChI=1S/C63H60N4.C27H12F9N9.C26H20N2.3C9H7NO.Al/c1-43-22-19-31-55(34-43)64(52-25-13-10-14-26-52)58-37-49(7)61(40-46(58)4)67(62-41-47(5)59(38-50(62)8)65(53-27-15-11-16-28-53)56-32-20-23-44(2)35-56)63-42-48(6)60(39-51(63)9)66(54-29-17-12-18-30-54)57-33-21-24-45(3)36-57;28-25(29,30)19-37-13-7-1-4-10-16(13)43(19)22-40-23(44-17-11-5-2-8-14(17)38-20(44)26(31,32)33)42-24(41-22)45-18-12-6-3-9-15(18)39-21(45)27(34,35)36;1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h10-42H,1-9H3;1-12H;3-16H,1-2H3;3*1-6,11H;/q;;;;;;+3/p-3.
What are the key properties of 4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;tri(quinolin-8-yloxy)alumane?
4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;tri(quinolin-8-yloxy)alumane has a molecular weight of 2326.54 g/mol, XLogP of 37.87, 23 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;tri(quinolin-8-yloxy)alumane is sourced from PubChem (CID 158788116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).