10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole

C41H26N4O — CID 118243213

IUPAC10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc6oc(-c7ccccc7)nc6c54)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C41H26N4O/c1-4-12-27(13-5-1)34-26-35(43-40(42-34)29-14-6-2-7-15-29)28-20-22-31(23-21-28)45-36-19-11-10-18-32(36)33-24-25-37-38(39(33)45)44-41(46-37)30-16-8-3-9-17-30/h1-26H
InChIKeyHNSBDKBIWBMOCZ-UHFFFAOYSA-N
MW590.69 g/mol
LogP10.38
Rot. Bonds5

About 10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole

10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole (PubChem CID 118243213) has the molecular formula C41H26N4O and a molecular weight of 590.69 g/mol. Its IUPAC name is 10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole.

Molecular Properties

Compound Name10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole
PubChem CID118243213
Molecular FormulaC41H26N4O
Molecular Weight590.69 g/mol
Exact Mass590.21
IUPAC Name10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc6oc(-c7ccccc7)nc6c54)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C41H26N4O/c1-4-12-27(13-5-1)34-26-35(43-40(42-34)29-14-6-2-7-15-29)28-20-22-31(23-21-28)45-36-19-11-10-18-32(36)33-24-25-37-38(39(33)45)44-41(46-37)30-16-8-3-9-17-30/h1-26H
InChIKeyHNSBDKBIWBMOCZ-UHFFFAOYSA-N
XLogP10.38
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.69
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole?
The IUPAC name of 10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole (CID 118243213) is 10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole.
What is the SMILES notation for 10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole?
The canonical SMILES for 10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc6oc(-c7ccccc7)nc6c54)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole?
The InChIKey is HNSBDKBIWBMOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4O/c1-4-12-27(13-5-1)34-26-35(43-40(42-34)29-14-6-2-7-15-29)28-20-22-31(23-21-28)45-36-19-11-10-18-32(36)33-24-25-37-38(39(33)45)44-41(46-37)30-16-8-3-9-17-30/h1-26H.
What are the key properties of 10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole?
10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole has a molecular weight of 590.69 g/mol, XLogP of 10.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole is sourced from PubChem (CID 118243213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).