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

C96H85N5O — CID 59742274

IUPACN-[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
SMILESCCC(CC(CC(CC(C)n1c2ccccc2c2ccccc21)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1)c1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1)c1ccc(-c2cccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)c2)cc1
InChIInChI=1S/C96H85N5O/c1-8-67(68-32-38-73(39-33-68)77-18-17-19-78(62-77)95-98-97-94(102-95)76-44-50-81(51-45-76)96(5,6)7)61-80(75-42-36-70(37-43-75)71-46-56-84(57-47-71)100(82-52-28-64(2)29-53-82)83-54-30-65(3)31-55-83)63-79(60-66(4)99-90-24-13-9-20-86(90)87-21-10-14-25-91(87)99)74-40-34-69(35-41-74)72-48-58-85(59-49-72)101-92-26-15-11-22-88(92)89-23-12-16-27-93(89)101/h9-59,62,66-67,79-80H,8,60-61,63H2,1-7H3
InChIKeyTZKGCVTUYQMSNE-UHFFFAOYSA-N
MW1324.77 g/mol
LogP26.49
Rot. Bonds20

About 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

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 (PubChem CID 59742274) has the molecular formula C96H85N5O and a molecular weight of 1324.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID59742274
Molecular FormulaC96H85N5O
Molecular Weight1324.77 g/mol
Exact Mass1323.68
IUPAC NameN-[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
SMILESCCC(CC(CC(CC(C)n1c2ccccc2c2ccccc21)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1)c1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1)c1ccc(-c2cccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)c2)cc1
InChIInChI=1S/C96H85N5O/c1-8-67(68-32-38-73(39-33-68)77-18-17-19-78(62-77)95-98-97-94(102-95)76-44-50-81(51-45-76)96(5,6)7)61-80(75-42-36-70(37-43-75)71-46-56-84(57-47-71)100(82-52-28-64(2)29-53-82)83-54-30-65(3)31-55-83)63-79(60-66(4)99-90-24-13-9-20-86(90)87-21-10-14-25-91(87)99)74-40-34-69(35-41-74)72-48-58-85(59-49-72)101-92-26-15-11-22-88(92)89-23-12-16-27-93(89)101/h9-59,62,66-67,79-80H,8,60-61,63H2,1-7H3
InChIKeyTZKGCVTUYQMSNE-UHFFFAOYSA-N
XLogP26.49
TPSA52.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001324.77
LogP ≤ 526.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
9-[4-[4-[7-carbazol-9-yl-5-[4-(4-carbazol-9-ylphenyl)phenyl]octan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole
CID 59742251
2-[4-[4-(5-carbazol-9-ylhexan-3-yl)phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;methane
CID 162059761
N,9-diphenyl-N-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine
CID 58903714
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-[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
4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-[4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-N-phenylaniline
CID 132556945
9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-phenylphenyl)carbazol-3-amine
CID 58903542
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
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
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
N-(4-tert-butylphenyl)-4-[9-(4-tert-butylphenyl)carbazol-3-yl]-N-phenylaniline
CID 143859069

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(CC(CC(CC(C)n1c2ccccc2c2ccccc21)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1)c1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1)c1ccc(-c2cccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is TZKGCVTUYQMSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H85N5O/c1-8-67(68-32-38-73(39-33-68)77-18-17-19-78(62-77)95-98-97-94(102-95)76-44-50-81(51-45-76)96(5,6)7)61-80(75-42-36-70(37-43-75)71-46-56-84(57-47-71)100(82-52-28-64(2)29-53-82)83-54-30-65(3)31-55-83)63-79(60-66(4)99-90-24-13-9-20-86(90)87-21-10-14-25-91(87)99)74-40-34-69(35-41-74)72-48-58-85(59-49-72)101-92-26-15-11-22-88(92)89-23-12-16-27-93(89)101/h9-59,62,66-67,79-80H,8,60-61,63H2,1-7H3.
What are the key properties of 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?
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 has a molecular weight of 1324.77 g/mol, XLogP of 26.49, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59742274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).