2-phenyl-5-[2-[5-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]-1,3,4-oxadiazole

C46H28N6O2 — CID 122432868

IUPAC2-phenyl-5-[2-[5-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3-c3nnc(-c4ccccc4)o3)o2)cc1
InChIInChI=1S/C46H28N6O2/c1-3-15-29(16-4-1)43-47-49-45(53-43)33-21-9-13-25-39(33)51-37-23-11-7-19-31(37)35-28-42-36(27-41(35)51)32-20-8-12-24-38(32)52(42)40-26-14-10-22-34(40)46-50-48-44(54-46)30-17-5-2-6-18-30/h1-28H
InChIKeyZCOJWLKENFUECF-UHFFFAOYSA-N
MW696.77 g/mol
LogP11.31
Rot. Bonds6

About 2-phenyl-5-[2-[5-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]-1,3,4-oxadiazole

2-phenyl-5-[2-[5-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 122432868) has the molecular formula C46H28N6O2 and a molecular weight of 696.77 g/mol. Its IUPAC name is 2-phenyl-5-[2-[5-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[2-[5-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]-1,3,4-oxadiazole
PubChem CID122432868
Molecular FormulaC46H28N6O2
Molecular Weight696.77 g/mol
Exact Mass696.23
IUPAC Name2-phenyl-5-[2-[5-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3-c3nnc(-c4ccccc4)o3)o2)cc1
InChIInChI=1S/C46H28N6O2/c1-3-15-29(16-4-1)43-47-49-45(53-43)33-21-9-13-25-39(33)51-37-23-11-7-19-31(37)35-28-42-36(27-41(35)51)32-20-8-12-24-38(32)52(42)40-26-14-10-22-34(40)46-50-48-44(54-46)30-17-5-2-6-18-30/h1-28H
InChIKeyZCOJWLKENFUECF-UHFFFAOYSA-N
XLogP11.31
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.77
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-phenyl-5-[2-[5-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

3-N,3-N,6-N,6-N-tetramethyl-9-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazole-3,6-diamine
CID 122432622
2-naphthalen-1-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole
CID 59445216
5-phenyl-11-[2-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847594
2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;2-[2-(3,6-diethylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 158447388
9-[2-[5-[2-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-diamine
CID 145125471
2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole
CID 59489385
2-[4-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59500830
trimethyl-[9-(2-phenylphenyl)carbazol-3-yl]silane
CID 175089123
5-phenyl-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847706
9-[2-(2-carbazol-9-yl-4-phenylphenyl)phenyl]carbazole
CID 138513637
2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59445184
11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;ethane
CID 144644723

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[2-[5-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[2-[5-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]-1,3,4-oxadiazole (CID 122432868) is 2-phenyl-5-[2-[5-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[2-[5-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[2-[5-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3-c3nnc(-c4ccccc4)o3)o2)cc1.
What is the InChIKey of 2-phenyl-5-[2-[5-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is ZCOJWLKENFUECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N6O2/c1-3-15-29(16-4-1)43-47-49-45(53-43)33-21-9-13-25-39(33)51-37-23-11-7-19-31(37)35-28-42-36(27-41(35)51)32-20-8-12-24-38(32)52(42)40-26-14-10-22-34(40)46-50-48-44(54-46)30-17-5-2-6-18-30/h1-28H.
What are the key properties of 2-phenyl-5-[2-[5-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]-1,3,4-oxadiazole?
2-phenyl-5-[2-[5-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 696.77 g/mol, XLogP of 11.31, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[2-[5-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 122432868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).