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

C38H24N4O — CID 118228218

IUPAC2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole
SMILESc1ccc(-c2nc3ccc4c(c5ccccc5n4-c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4)c3o2)cc1
InChIInChI=1S/C38H24N4O/c1-3-12-25(13-4-1)37-39-30-19-8-10-21-33(30)42(37)28-17-11-16-27(24-28)41-32-20-9-7-18-29(32)35-34(41)23-22-31-36(35)43-38(40-31)26-14-5-2-6-15-26/h1-24H
InChIKeyHBXYMHVDOPNTFO-UHFFFAOYSA-N
MW552.64 g/mol
LogP9.60
Rot. Bonds4

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

2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole (PubChem CID 118228218) has the molecular formula C38H24N4O and a molecular weight of 552.64 g/mol. Its IUPAC name is 2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole.

Molecular Properties

Compound Name2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole
PubChem CID118228218
Molecular FormulaC38H24N4O
Molecular Weight552.64 g/mol
Exact Mass552.20
IUPAC Name2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole
SMILESc1ccc(-c2nc3ccc4c(c5ccccc5n4-c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4)c3o2)cc1
InChIInChI=1S/C38H24N4O/c1-3-12-25(13-4-1)37-39-30-19-8-10-21-33(30)42(37)28-17-11-16-27(24-28)41-32-20-9-7-18-29(32)35-34(41)23-22-31-36(35)43-38(40-31)26-14-5-2-6-15-26/h1-24H
InChIKeyHBXYMHVDOPNTFO-UHFFFAOYSA-N
XLogP9.60
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.64
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole?
The IUPAC name of 2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole (CID 118228218) is 2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole.
What is the SMILES notation for 2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole?
The canonical SMILES for 2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole is c1ccc(-c2nc3ccc4c(c5ccccc5n4-c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4)c3o2)cc1.
What is the InChIKey of 2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole?
The InChIKey is HBXYMHVDOPNTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4O/c1-3-12-25(13-4-1)37-39-30-19-8-10-21-33(30)42(37)28-17-11-16-27(24-28)41-32-20-9-7-18-29(32)35-34(41)23-22-31-36(35)43-38(40-31)26-14-5-2-6-15-26/h1-24H.
What are the key properties of 2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole?
2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole has a molecular weight of 552.64 g/mol, XLogP of 9.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole is sourced from PubChem (CID 118228218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).