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

C38H24N4O — CID 118228205

IUPAC2-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole
SMILESc1ccc(-c2nc3ccc4c(c5ccccc5n4-c4cccc(-c5nc6ccccc6n5-c5ccccc5)c4)c3o2)cc1
InChIInChI=1S/C38H24N4O/c1-3-12-25(13-4-1)38-40-31-22-23-34-35(36(31)43-38)29-18-7-9-20-32(29)41(34)28-17-11-14-26(24-28)37-39-30-19-8-10-21-33(30)42(37)27-15-5-2-6-16-27/h1-24H
InChIKeyXBBSUJRZVLWJKL-UHFFFAOYSA-N
MW552.64 g/mol
LogP9.60
Rot. Bonds4

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

2-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole (PubChem CID 118228205) has the molecular formula C38H24N4O and a molecular weight of 552.64 g/mol. Its IUPAC name is 2-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole.

Molecular Properties

Compound Name2-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole
PubChem CID118228205
Molecular FormulaC38H24N4O
Molecular Weight552.64 g/mol
Exact Mass552.20
IUPAC Name2-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole
SMILESc1ccc(-c2nc3ccc4c(c5ccccc5n4-c4cccc(-c5nc6ccccc6n5-c5ccccc5)c4)c3o2)cc1
InChIInChI=1S/C38H24N4O/c1-3-12-25(13-4-1)38-40-31-22-23-34-35(36(31)43-38)29-18-7-9-20-32(29)41(34)28-17-11-14-26(24-28)37-39-30-19-8-10-21-33(30)42(37)27-15-5-2-6-16-27/h1-24H
InChIKeyXBBSUJRZVLWJKL-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-(1-phenylbenzimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole?
The IUPAC name of 2-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole (CID 118228205) is 2-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole.
What is the SMILES notation for 2-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole?
The canonical SMILES for 2-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole is c1ccc(-c2nc3ccc4c(c5ccccc5n4-c4cccc(-c5nc6ccccc6n5-c5ccccc5)c4)c3o2)cc1.
What is the InChIKey of 2-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole?
The InChIKey is XBBSUJRZVLWJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4O/c1-3-12-25(13-4-1)38-40-31-22-23-34-35(36(31)43-38)29-18-7-9-20-32(29)41(34)28-17-11-14-26(24-28)37-39-30-19-8-10-21-33(30)42(37)27-15-5-2-6-16-27/h1-24H.
What are the key properties of 2-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole?
2-phenyl-6-[3-(1-phenylbenzimidazol-2-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-(1-phenylbenzimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole is sourced from PubChem (CID 118228205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).