2-phenyl-5-[4-[4-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]hexan-2-yl]phenyl]-1,3,4-oxadiazole

C50H40N4O — CID 71105342

IUPAC2-phenyl-5-[4-[4-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]hexan-2-yl]phenyl]-1,3,4-oxadiazole
SMILESCCC(CC(C)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/C50H40N4O/c1-3-34(32-33(2)35-22-24-38(25-23-35)50-52-51-49(55-50)37-14-6-4-7-15-37)36-26-28-40(29-27-36)54-46-21-13-11-19-42(46)44-31-30-43-41-18-10-12-20-45(41)53(47(43)48(44)54)39-16-8-5-9-17-39/h4-31,33-34H,3,32H2,1-2H3
InChIKeyFZZBPIHGDGAZLL-UHFFFAOYSA-N
MW712.90 g/mol
LogP13.29
Rot. Bonds9

About 2-phenyl-5-[4-[4-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]hexan-2-yl]phenyl]-1,3,4-oxadiazole

2-phenyl-5-[4-[4-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]hexan-2-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 71105342) has the molecular formula C50H40N4O and a molecular weight of 712.90 g/mol. Its IUPAC name is 2-phenyl-5-[4-[4-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]hexan-2-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[4-[4-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]hexan-2-yl]phenyl]-1,3,4-oxadiazole
PubChem CID71105342
Molecular FormulaC50H40N4O
Molecular Weight712.90 g/mol
Exact Mass712.32
IUPAC Name2-phenyl-5-[4-[4-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]hexan-2-yl]phenyl]-1,3,4-oxadiazole
SMILESCCC(CC(C)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/C50H40N4O/c1-3-34(32-33(2)35-22-24-38(25-23-35)50-52-51-49(55-50)37-14-6-4-7-15-37)36-26-28-40(29-27-36)54-46-21-13-11-19-42(46)44-31-30-43-41-18-10-12-20-45(41)53(47(43)48(44)54)39-16-8-5-9-17-39/h4-31,33-34H,3,32H2,1-2H3
InChIKeyFZZBPIHGDGAZLL-UHFFFAOYSA-N
XLogP13.29
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-[4-[4-[5-(9-ethylcarbazol-3-yl)hexan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 23522301
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
2-[4-[4-(5-carbazol-9-ylhexan-3-yl)phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;methane
CID 162059761
2-[4-(4-butan-2-ylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 23522274
2-phenyl-5-[4-[4-(11-phenylindolo[2,3-i]phenanthridin-12-yl)phenyl]phenyl]-1,3,4-oxadiazole
CID 129122867
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole
CID 59489385
N-[4-[4-[4-[5-(4-carbazol-9-ylphenyl)hexan-3-yl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-phenylaniline
CID 59742237
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
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
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 2-phenyl-5-[4-[4-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]hexan-2-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 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) is 2-phenyl-5-[4-[4-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]hexan-2-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[4-[4-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]hexan-2-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[4-[4-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]hexan-2-yl]phenyl]-1,3,4-oxadiazole is CCC(CC(C)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)cc1.
What is the InChIKey of 2-phenyl-5-[4-[4-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]hexan-2-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is FZZBPIHGDGAZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N4O/c1-3-34(32-33(2)35-22-24-38(25-23-35)50-52-51-49(55-50)37-14-6-4-7-15-37)36-26-28-40(29-27-36)54-46-21-13-11-19-42(46)44-31-30-43-41-18-10-12-20-45(41)53(47(43)48(44)54)39-16-8-5-9-17-39/h4-31,33-34H,3,32H2,1-2H3.
What are the key properties of 2-phenyl-5-[4-[4-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]hexan-2-yl]phenyl]-1,3,4-oxadiazole?
2-phenyl-5-[4-[4-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]hexan-2-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 712.90 g/mol, XLogP of 13.29, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-[4-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]hexan-2-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 71105342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).