N-[4-[4-[6-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-2-[4-(4-carbazol-9-ylphenyl)phenyl]octan-4-yl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane

C88H98N4O — CID 159506351

IUPACN-[4-[4-[6-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-2-[4-(4-carbazol-9-ylphenyl)phenyl]octan-4-yl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane
SMILESC.C.C.C.C.C.CCC(CC(CC(C)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1)c1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1)c1ccc(-c2ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc2)cc1
InChIInChI=1S/C82H74N4O.6CH4/c1-8-58(60-25-27-62(28-26-60)64-33-35-68(36-34-64)80-83-84-81(87-80)69-37-43-71(44-38-69)82(5,6)7)54-70(67-31-29-63(30-32-67)65-39-49-74(50-40-65)85(72-45-17-55(2)18-46-72)73-47-19-56(3)20-48-73)53-57(4)59-21-23-61(24-22-59)66-41-51-75(52-42-66)86-78-15-11-9-13-76(78)77-14-10-12-16-79(77)86;;;;;;/h9-52,57-58,70H,8,53-54H2,1-7H3;6*1H4
InChIKeyMAARDGOHTVNQNJ-UHFFFAOYSA-N
MW1227.78 g/mol
LogP26.56
Rot. Bonds17

About N-[4-[4-[6-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-2-[4-(4-carbazol-9-ylphenyl)phenyl]octan-4-yl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane

N-[4-[4-[6-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-2-[4-(4-carbazol-9-ylphenyl)phenyl]octan-4-yl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane (PubChem CID 159506351) has the molecular formula C88H98N4O and a molecular weight of 1227.78 g/mol. Its IUPAC name is N-[4-[4-[6-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-2-[4-(4-carbazol-9-ylphenyl)phenyl]octan-4-yl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane.

Molecular Properties

Compound NameN-[4-[4-[6-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-2-[4-(4-carbazol-9-ylphenyl)phenyl]octan-4-yl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane
PubChem CID159506351
Molecular FormulaC88H98N4O
Molecular Weight1227.78 g/mol
Exact Mass1226.77
IUPAC NameN-[4-[4-[6-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-2-[4-(4-carbazol-9-ylphenyl)phenyl]octan-4-yl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane
SMILESC.C.C.C.C.C.CCC(CC(CC(C)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1)c1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1)c1ccc(-c2ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc2)cc1
InChIInChI=1S/C82H74N4O.6CH4/c1-8-58(60-25-27-62(28-26-60)64-33-35-68(36-34-64)80-83-84-81(87-80)69-37-43-71(44-38-69)82(5,6)7)54-70(67-31-29-63(30-32-67)65-39-49-74(50-40-65)85(72-45-17-55(2)18-46-72)73-47-19-56(3)20-48-73)53-57(4)59-21-23-61(24-22-59)66-41-51-75(52-42-66)86-78-15-11-9-13-76(78)77-14-10-12-16-79(77)86;;;;;;/h9-52,57-58,70H,8,53-54H2,1-7H3;6*1H4
InChIKeyMAARDGOHTVNQNJ-UHFFFAOYSA-N
XLogP26.56
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001227.78
LogP ≤ 526.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-[6-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-2-[4-(4-carbazol-9-ylphenyl)phenyl]octan-4-yl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane with MolForge

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Related Compounds

N-[4-[4-[3-[4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-9-carbazol-9-yl-7-[4-(4-carbazol-9-ylphenyl)phenyl]decan-5-yl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59742274
2-[4-[4-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]hexan-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole;methane
CID 157441624
N-[4-[4-[4-[5-(4-carbazol-9-ylphenyl)hexan-3-yl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-phenylaniline
CID 59742237
2-phenyl-5-[4-[4-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]hexan-2-yl]phenyl]-1,3,4-oxadiazole
CID 71105342
4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-(4-tert-butylphenyl)carbazol-3-yl]-N,N-diphenylaniline
CID 155621917
4-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-2-yl]phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 155614212
9-[4-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]hexan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[3-(4-ethenylphenyl)phenyl]carbazole;N-[4-(4-ethenylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane
CID 158926363
2-[4-[4-(5-carbazol-9-ylhexan-3-yl)phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;methane
CID 162059761
2-[4-[4-[5-(9-ethylcarbazol-3-yl)hexan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 23522301
2-[4-(4-butan-2-ylphenyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;methane
CID 157226539
9-[4-[4-[7-carbazol-9-yl-5-[4-(4-carbazol-9-ylphenyl)phenyl]octan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole
CID 59742251
N-(4-carbazol-9-ylphenyl)-4-[5-[3,5-di(butan-2-yloxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-phenylaniline
CID 58903594

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[6-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-2-[4-(4-carbazol-9-ylphenyl)phenyl]octan-4-yl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane?
The IUPAC name of N-[4-[4-[6-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-2-[4-(4-carbazol-9-ylphenyl)phenyl]octan-4-yl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane (CID 159506351) is N-[4-[4-[6-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-2-[4-(4-carbazol-9-ylphenyl)phenyl]octan-4-yl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane.
What is the SMILES notation for N-[4-[4-[6-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-2-[4-(4-carbazol-9-ylphenyl)phenyl]octan-4-yl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane?
The canonical SMILES for N-[4-[4-[6-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-2-[4-(4-carbazol-9-ylphenyl)phenyl]octan-4-yl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane is C.C.C.C.C.C.CCC(CC(CC(C)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1)c1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1)c1ccc(-c2ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc2)cc1.
What is the InChIKey of N-[4-[4-[6-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-2-[4-(4-carbazol-9-ylphenyl)phenyl]octan-4-yl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane?
The InChIKey is MAARDGOHTVNQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H74N4O.6CH4/c1-8-58(60-25-27-62(28-26-60)64-33-35-68(36-34-64)80-83-84-81(87-80)69-37-43-71(44-38-69)82(5,6)7)54-70(67-31-29-63(30-32-67)65-39-49-74(50-40-65)85(72-45-17-55(2)18-46-72)73-47-19-56(3)20-48-73)53-57(4)59-21-23-61(24-22-59)66-41-51-75(52-42-66)86-78-15-11-9-13-76(78)77-14-10-12-16-79(77)86;;;;;;/h9-52,57-58,70H,8,53-54H2,1-7H3;6*1H4.
What are the key properties of N-[4-[4-[6-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-2-[4-(4-carbazol-9-ylphenyl)phenyl]octan-4-yl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane?
N-[4-[4-[6-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-2-[4-(4-carbazol-9-ylphenyl)phenyl]octan-4-yl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane has a molecular weight of 1227.78 g/mol, XLogP of 26.56, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[6-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-2-[4-(4-carbazol-9-ylphenyl)phenyl]octan-4-yl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane is sourced from PubChem (CID 159506351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).