2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;3-(4-tert-butylphenyl)-4-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)-1,2,4-triazole;3-(4-tert-butylphenyl)-4-[3-nitro-4-(2-nitrophenyl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-naphthalen-1-yl-1-(4-naphthalen-1-ylnaphthalen-1-yl)benzimidazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene

C229H166N12O6S — CID 159321874

IUPAC2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;3-(4-tert-butylphenyl)-4-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)-1,2,4-triazole;3-(4-tert-butylphenyl)-4-[3-nitro-4-(2-nitrophenyl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-naphthalen-1-yl-1-(4-naphthalen-1-ylnaphthalen-1-yl)benzimidazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene
SMILESCC(C)(C)c1ccc(-c2ncc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)o2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccc(-c3cccc4ccccc34)c3ccccc23)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccc(-c3ccccc3[N+](=O)[O-])c([N+](=O)[O-])c2)cc1.c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)s3)cc2)cc1.c1ccc2c(-c3ccc(-c4cnc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)o4)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc(-n4c(-c5cccc6ccccc56)nc5ccccc54)c4ccccc34)cccc2c1
InChIInChI=1S/C44H35N3.C43H27NO.C37H24N2.C36H29N5O4.C36H24S.C33H27NO/c1-44(2,3)35-26-24-34(25-27-35)43-46-45-42(33-22-20-31(21-23-33)30-12-5-4-6-13-30)47(43)41-29-28-39(38-17-9-10-18-40(38)41)37-19-11-15-32-14-7-8-16-36(32)37;1-3-15-30-28(11-1)13-9-21-32(30)38-23-25-40(36-19-7-5-17-34(36)38)42-27-44-43(45-42)41-26-24-39(35-18-6-8-20-37(35)41)33-22-10-14-29-12-2-4-16-31(29)33;1-3-15-27-25(11-1)13-9-19-29(27)31-23-24-35(32-18-6-5-17-30(31)32)39-36-22-8-7-21-34(36)38-37(39)33-20-10-14-26-12-2-4-16-28(26)33;1-36(2,3)28-19-17-27(18-20-28)35-38-37-34(26-15-13-25(14-16-26)24-9-5-4-6-10-24)39(35)29-21-22-31(33(23-29)41(44)45)30-11-7-8-12-32(30)40(42)43;1-2-9-25(10-3-1)26-17-19-28(20-18-26)35-23-24-36(37-35)34-22-21-33(31-14-6-7-15-32(31)34)30-16-8-12-27-11-4-5-13-29(27)30;1-33(2,3)24-17-15-23(16-18-24)32-34-21-31(35-32)30-20-19-29(27-12-6-7-13-28(27)30)26-14-8-10-22-9-4-5-11-25(22)26/h4-29H,1-3H3;1-27H;1-24H;4-23H,1-3H3;1-24H;4-21H,1-3H3
InChIKeyLDWFLRWGTOYPJC-UHFFFAOYSA-N
MW3213.99 g/mol
LogP62.36
Rot. Bonds26

About 2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;3-(4-tert-butylphenyl)-4-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)-1,2,4-triazole;3-(4-tert-butylphenyl)-4-[3-nitro-4-(2-nitrophenyl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-naphthalen-1-yl-1-(4-naphthalen-1-ylnaphthalen-1-yl)benzimidazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene

2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;3-(4-tert-butylphenyl)-4-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)-1,2,4-triazole;3-(4-tert-butylphenyl)-4-[3-nitro-4-(2-nitrophenyl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-naphthalen-1-yl-1-(4-naphthalen-1-ylnaphthalen-1-yl)benzimidazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene (PubChem CID 159321874) has the molecular formula C229H166N12O6S and a molecular weight of 3213.99 g/mol. Its IUPAC name is 2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;3-(4-tert-butylphenyl)-4-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)-1,2,4-triazole;3-(4-tert-butylphenyl)-4-[3-nitro-4-(2-nitrophenyl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-naphthalen-1-yl-1-(4-naphthalen-1-ylnaphthalen-1-yl)benzimidazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene.

Molecular Properties

Compound Name2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;3-(4-tert-butylphenyl)-4-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)-1,2,4-triazole;3-(4-tert-butylphenyl)-4-[3-nitro-4-(2-nitrophenyl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-naphthalen-1-yl-1-(4-naphthalen-1-ylnaphthalen-1-yl)benzimidazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene
PubChem CID159321874
Molecular FormulaC229H166N12O6S
Molecular Weight3213.99 g/mol
Exact Mass3211.28
IUPAC Name2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;3-(4-tert-butylphenyl)-4-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)-1,2,4-triazole;3-(4-tert-butylphenyl)-4-[3-nitro-4-(2-nitrophenyl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-naphthalen-1-yl-1-(4-naphthalen-1-ylnaphthalen-1-yl)benzimidazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene
SMILESCC(C)(C)c1ccc(-c2ncc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)o2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccc(-c3cccc4ccccc34)c3ccccc23)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccc(-c3ccccc3[N+](=O)[O-])c([N+](=O)[O-])c2)cc1.c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)s3)cc2)cc1.c1ccc2c(-c3ccc(-c4cnc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)o4)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc(-n4c(-c5cccc6ccccc56)nc5ccccc54)c4ccccc34)cccc2c1
InChIInChI=1S/C44H35N3.C43H27NO.C37H24N2.C36H29N5O4.C36H24S.C33H27NO/c1-44(2,3)35-26-24-34(25-27-35)43-46-45-42(33-22-20-31(21-23-33)30-12-5-4-6-13-30)47(43)41-29-28-39(38-17-9-10-18-40(38)41)37-19-11-15-32-14-7-8-16-36(32)37;1-3-15-30-28(11-1)13-9-21-32(30)38-23-25-40(36-19-7-5-17-34(36)38)42-27-44-43(45-42)41-26-24-39(35-18-6-8-20-37(35)41)33-22-10-14-29-12-2-4-16-31(29)33;1-3-15-27-25(11-1)13-9-19-29(27)31-23-24-35(32-18-6-5-17-30(31)32)39-36-22-8-7-21-34(36)38-37(39)33-20-10-14-26-12-2-4-16-28(26)33;1-36(2,3)28-19-17-27(18-20-28)35-38-37-34(26-15-13-25(14-16-26)24-9-5-4-6-10-24)39(35)29-21-22-31(33(23-29)41(44)45)30-11-7-8-12-32(30)40(42)43;1-2-9-25(10-3-1)26-17-19-28(20-18-26)35-23-24-36(37-35)34-22-21-33(31-14-6-7-15-32(31)34)30-16-8-12-27-11-4-5-13-29(27)30;1-33(2,3)24-17-15-23(16-18-24)32-34-21-31(35-32)30-20-19-29(27-12-6-7-13-28(27)30)26-14-8-10-22-9-4-5-11-25(22)26/h4-29H,1-3H3;1-27H;1-24H;4-23H,1-3H3;1-24H;4-21H,1-3H3
InChIKeyLDWFLRWGTOYPJC-UHFFFAOYSA-N
XLogP62.36
TPSA217.58 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds26
Heavy Atoms248
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003213.99
LogP ≤ 562.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;3-(4-tert-butylphenyl)-4-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)-1,2,4-triazole;3-(4-tert-butylphenyl)-4-[3-nitro-4-(2-nitrophenyl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-naphthalen-1-yl-1-(4-naphthalen-1-ylnaphthalen-1-yl)benzimidazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene with MolForge

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Related Compounds

2-Methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1-naphthalen-1-ylbenzimidazole;2-methyl-1-naphthalen-2-ylbenzimidazole;2-methyl-1-phenylbenzimidazole;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;2-methyl-3-prop-2-enylbenzo[f]benzimidazole;prop-1-ene
CID 157343839
1,2-dimethyl-5-(3,4,5-trimethylphenyl)imidazole;1,2-dimethyl-5-(3,4,5-trimethylphenyl)pyrrole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzoxazole;6-methyl-2-(3,4,5-trimethylphenyl)-3H-indole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazole;2-methyl-5-(3,4,5-trimethylphenyl)pyridine;2-methyl-5-(3,4,5-trimethylphenyl)pyrimidine;2-methyl-5-(3,4,5-trimethylphenyl)thiophene
CID 158197449
2,5-Bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-methylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-methylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;3-(4-methylphenyl)-4-[3-nitro-4-(2-nitrophenyl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-naphthalen-1-yl-1-(4-naphthalen-1-ylnaphthalen-1-yl)benzimidazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene
CID 158237084
5-tert-butyl-2,1,3-benzothiadiazole;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,1,3-benzoxadiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butylpyrazolo[1,5-a]pyridine
CID 159050342
2-Methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1-naphthalen-1-ylbenzimidazole;2-methyl-1-naphthalen-2-ylbenzimidazole;2-methyl-1-phenylbenzimidazole;2-methyl-1-phenylimidazole;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole
CID 159213736
2-[6-(1-Methyl-4,5-diphenylimidazol-2-yl)pyren-1-yl]-5-phenyl-1,3-oxazole;2-naphthalen-2-yl-5-[6-(5-phenyl-1,3-oxazol-2-yl)pyren-1-yl]-1,3,4-oxadiazole;5-phenyl-2-[6-(5-phenyl-1,3-thiazol-2-yl)pyren-1-yl]-1,3-oxazole
CID 159627895
Bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole);5-(4-tert-butylphenyl)-4-methyl-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-naphthalen-1-yl-1-(4-naphthalen-1-ylnaphthalen-1-yl)benzimidazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene
CID 159805612
1-[4-(7-Anthracen-9-ylpyren-2-yl)phenyl]-2-phenylbenzimidazole;3,4-diphenyl-5-(4-pyren-2-ylphenyl)-1,2,4-triazole;2-[4-(7-naphthalen-2-ylpyren-2-yl)phenyl]-1-phenyl-3a,7a-dihydrobenzimidazole;1-phenyl-2-(4-pyren-2-ylphenyl)-3a,7a-dihydrobenzimidazole;2-phenyl-1-(4-pyren-2-ylphenyl)benzimidazole;2-phenyl-3-(4-pyren-2-ylphenyl)imidazo[1,2-a]pyridine;2-phenyl-3-(4-pyren-2-ylphenyl)imidazo[1,2-a]pyrimidine;2-phenyl-5-(4-pyren-2-ylphenyl)-1,3,4-oxadiazole;2-phenyl-5-(4-pyren-2-ylphenyl)-1,3,4-thiadiazole;2-(4-pyren-2-ylphenyl)-1,3-benzothiazole;2-(4-pyren-2-ylphenyl)-1,3-benzoxazole;1-(4-pyren-2-ylphenyl)imidazole
CID 160930419
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole)
CID 160933929
3,4-Diphenyl-5-(4-pyren-2-ylphenyl)-1,2,4-triazole;1-phenyl-2-(4-pyren-2-ylphenyl)benzimidazole;2-phenyl-1-(4-pyren-2-ylphenyl)benzimidazole;2-phenyl-3-(4-pyren-2-ylphenyl)imidazo[1,2-a]pyridine;2-phenyl-3-(4-pyren-2-ylphenyl)imidazo[1,2-a]pyrimidine;2-phenyl-5-(4-pyren-2-ylphenyl)-1,3,4-oxadiazole;2-phenyl-5-(4-pyren-2-ylphenyl)-1,3,4-thiadiazole;2-(4-pyren-2-ylphenyl)-1,3-benzothiazole;2-(4-pyren-2-ylphenyl)-1,3-benzoxazole;1-(4-pyren-2-ylphenyl)imidazole
CID 161582172
2-[9,9-Dimethyl-7-(7-phenylpyren-2-yl)fluoren-2-yl]-1,3-benzoxazole;3-[2,5-dimethyl-4-(7-phenylpyren-2-yl)phenyl]-2-phenylimidazo[1,2-a]pyridine;3,4-diphenyl-5-[4-(7-phenylpyren-2-yl)naphthalen-1-yl]-1,2,4-triazole;3-imidazol-1-yl-9-phenyl-6-(7-phenylpyren-2-yl)carbazole;2-phenyl-5-[10-(7-phenylpyren-2-yl)anthracen-9-yl]-1,3,4-oxadiazole;2-phenyl-1-[4-(7-phenylpyren-2-yl)naphthalen-2-yl]benzimidazole;2-phenyl-5-[3-(7-phenylpyren-2-yl)phenyl]-1,3,4-thiadiazole;2-[5-(7-phenylpyren-2-yl)-2-pyridinyl]-1,3-benzothiazole
CID 161805900
2,5-Bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,4-oxadiazole;2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;3-(4-tert-butylphenyl)-4-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)-1,2,4-triazole;[5-[3-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]-2-(2-nitrophenyl)phenyl]iminoosmium;2-naphthalen-1-yl-1-(4-naphthalen-1-ylnaphthalen-1-yl)benzimidazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene
CID 161956746

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;3-(4-tert-butylphenyl)-4-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)-1,2,4-triazole;3-(4-tert-butylphenyl)-4-[3-nitro-4-(2-nitrophenyl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-naphthalen-1-yl-1-(4-naphthalen-1-ylnaphthalen-1-yl)benzimidazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene?
The IUPAC name of 2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;3-(4-tert-butylphenyl)-4-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)-1,2,4-triazole;3-(4-tert-butylphenyl)-4-[3-nitro-4-(2-nitrophenyl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-naphthalen-1-yl-1-(4-naphthalen-1-ylnaphthalen-1-yl)benzimidazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene (CID 159321874) is 2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;3-(4-tert-butylphenyl)-4-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)-1,2,4-triazole;3-(4-tert-butylphenyl)-4-[3-nitro-4-(2-nitrophenyl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-naphthalen-1-yl-1-(4-naphthalen-1-ylnaphthalen-1-yl)benzimidazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene.
What is the SMILES notation for 2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;3-(4-tert-butylphenyl)-4-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)-1,2,4-triazole;3-(4-tert-butylphenyl)-4-[3-nitro-4-(2-nitrophenyl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-naphthalen-1-yl-1-(4-naphthalen-1-ylnaphthalen-1-yl)benzimidazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene?
The canonical SMILES for 2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;3-(4-tert-butylphenyl)-4-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)-1,2,4-triazole;3-(4-tert-butylphenyl)-4-[3-nitro-4-(2-nitrophenyl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-naphthalen-1-yl-1-(4-naphthalen-1-ylnaphthalen-1-yl)benzimidazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene is CC(C)(C)c1ccc(-c2ncc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)o2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccc(-c3cccc4ccccc34)c3ccccc23)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccc(-c3ccccc3[N+](=O)[O-])c([N+](=O)[O-])c2)cc1.c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)s3)cc2)cc1.c1ccc2c(-c3ccc(-c4cnc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)o4)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc(-n4c(-c5cccc6ccccc56)nc5ccccc54)c4ccccc34)cccc2c1.
What is the InChIKey of 2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;3-(4-tert-butylphenyl)-4-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)-1,2,4-triazole;3-(4-tert-butylphenyl)-4-[3-nitro-4-(2-nitrophenyl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-naphthalen-1-yl-1-(4-naphthalen-1-ylnaphthalen-1-yl)benzimidazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene?
The InChIKey is LDWFLRWGTOYPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N3.C43H27NO.C37H24N2.C36H29N5O4.C36H24S.C33H27NO/c1-44(2,3)35-26-24-34(25-27-35)43-46-45-42(33-22-20-31(21-23-33)30-12-5-4-6-13-30)47(43)41-29-28-39(38-17-9-10-18-40(38)41)37-19-11-15-32-14-7-8-16-36(32)37;1-3-15-30-28(11-1)13-9-21-32(30)38-23-25-40(36-19-7-5-17-34(36)38)42-27-44-43(45-42)41-26-24-39(35-18-6-8-20-37(35)41)33-22-10-14-29-12-2-4-16-31(29)33;1-3-15-27-25(11-1)13-9-19-29(27)31-23-24-35(32-18-6-5-17-30(31)32)39-36-22-8-7-21-34(36)38-37(39)33-20-10-14-26-12-2-4-16-28(26)33;1-36(2,3)28-19-17-27(18-20-28)35-38-37-34(26-15-13-25(14-16-26)24-9-5-4-6-10-24)39(35)29-21-22-31(33(23-29)41(44)45)30-11-7-8-12-32(30)40(42)43;1-2-9-25(10-3-1)26-17-19-28(20-18-26)35-23-24-36(37-35)34-22-21-33(31-14-6-7-15-32(31)34)30-16-8-12-27-11-4-5-13-29(27)30;1-33(2,3)24-17-15-23(16-18-24)32-34-21-31(35-32)30-20-19-29(27-12-6-7-13-28(27)30)26-14-8-10-22-9-4-5-11-25(22)26/h4-29H,1-3H3;1-27H;1-24H;4-23H,1-3H3;1-24H;4-21H,1-3H3.
What are the key properties of 2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;3-(4-tert-butylphenyl)-4-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)-1,2,4-triazole;3-(4-tert-butylphenyl)-4-[3-nitro-4-(2-nitrophenyl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-naphthalen-1-yl-1-(4-naphthalen-1-ylnaphthalen-1-yl)benzimidazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene?
2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;3-(4-tert-butylphenyl)-4-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)-1,2,4-triazole;3-(4-tert-butylphenyl)-4-[3-nitro-4-(2-nitrophenyl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-naphthalen-1-yl-1-(4-naphthalen-1-ylnaphthalen-1-yl)benzimidazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene has a molecular weight of 3213.99 g/mol, XLogP of 62.36, 26 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;3-(4-tert-butylphenyl)-4-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)-1,2,4-triazole;3-(4-tert-butylphenyl)-4-[3-nitro-4-(2-nitrophenyl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-naphthalen-1-yl-1-(4-naphthalen-1-ylnaphthalen-1-yl)benzimidazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene is sourced from PubChem (CID 159321874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).