2-phenyl-6-[4-(1-phenylimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole

C34H22N4O — CID 118228319

IUPAC2-phenyl-6-[4-(1-phenylimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole
SMILESc1ccc(-c2nc3ccc4c(c5ccccc5n4-c4ccc(-c5nccn5-c5ccccc5)cc4)c3o2)cc1
InChIInChI=1S/C34H22N4O/c1-3-9-24(10-4-1)34-36-28-19-20-30-31(32(28)39-34)27-13-7-8-14-29(27)38(30)26-17-15-23(16-18-26)33-35-21-22-37(33)25-11-5-2-6-12-25/h1-22H
InChIKeyOUMKXECDDLTJMK-UHFFFAOYSA-N
MW502.58 g/mol
LogP8.44
Rot. Bonds4

About 2-phenyl-6-[4-(1-phenylimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole

2-phenyl-6-[4-(1-phenylimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole (PubChem CID 118228319) has the molecular formula C34H22N4O and a molecular weight of 502.58 g/mol. Its IUPAC name is 2-phenyl-6-[4-(1-phenylimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole.

Molecular Properties

Compound Name2-phenyl-6-[4-(1-phenylimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole
PubChem CID118228319
Molecular FormulaC34H22N4O
Molecular Weight502.58 g/mol
Exact Mass502.18
IUPAC Name2-phenyl-6-[4-(1-phenylimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole
SMILESc1ccc(-c2nc3ccc4c(c5ccccc5n4-c4ccc(-c5nccn5-c5ccccc5)cc4)c3o2)cc1
InChIInChI=1S/C34H22N4O/c1-3-9-24(10-4-1)34-36-28-19-20-30-31(32(28)39-34)27-13-7-8-14-29(27)38(30)26-17-15-23(16-18-26)33-35-21-22-37(33)25-11-5-2-6-12-25/h1-22H
InChIKeyOUMKXECDDLTJMK-UHFFFAOYSA-N
XLogP8.44
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.58
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[4-(1-phenylimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole?
The IUPAC name of 2-phenyl-6-[4-(1-phenylimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole (CID 118228319) is 2-phenyl-6-[4-(1-phenylimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole.
What is the SMILES notation for 2-phenyl-6-[4-(1-phenylimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole?
The canonical SMILES for 2-phenyl-6-[4-(1-phenylimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole is c1ccc(-c2nc3ccc4c(c5ccccc5n4-c4ccc(-c5nccn5-c5ccccc5)cc4)c3o2)cc1.
What is the InChIKey of 2-phenyl-6-[4-(1-phenylimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole?
The InChIKey is OUMKXECDDLTJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4O/c1-3-9-24(10-4-1)34-36-28-19-20-30-31(32(28)39-34)27-13-7-8-14-29(27)38(30)26-17-15-23(16-18-26)33-35-21-22-37(33)25-11-5-2-6-12-25/h1-22H.
What are the key properties of 2-phenyl-6-[4-(1-phenylimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole?
2-phenyl-6-[4-(1-phenylimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole has a molecular weight of 502.58 g/mol, XLogP of 8.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[4-(1-phenylimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole is sourced from PubChem (CID 118228319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).