6-ethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole

C33H24N2O — CID 59227964

IUPAC6-ethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
SMILESCCc1ccc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc2c1
InChIInChI=1S/C33H24N2O/c1-2-22-12-18-29-32(20-22)36-33(34-29)24-15-13-23(14-16-24)25-17-19-31-28(21-25)27-10-6-7-11-30(27)35(31)26-8-4-3-5-9-26/h3-21H,2H2,1H3
InChIKeyARXUYKWTOLXZST-UHFFFAOYSA-N
MW464.57 g/mol
LogP8.82
Rot. Bonds4

About 6-ethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole

6-ethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole (PubChem CID 59227964) has the molecular formula C33H24N2O and a molecular weight of 464.57 g/mol. Its IUPAC name is 6-ethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-ethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
PubChem CID59227964
Molecular FormulaC33H24N2O
Molecular Weight464.57 g/mol
Exact Mass464.19
IUPAC Name6-ethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
SMILESCCc1ccc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc2c1
InChIInChI=1S/C33H24N2O/c1-2-22-12-18-29-32(20-22)36-33(34-29)24-15-13-23(14-16-24)25-17-19-31-28(21-25)27-10-6-7-11-30(27)35(31)26-8-4-3-5-9-26/h3-21H,2H2,1H3
InChIKeyARXUYKWTOLXZST-UHFFFAOYSA-N
XLogP8.82
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(9-phenylcarbazol-3-yl)-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 158893330
2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole
CID 59228217
2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole
CID 137473397
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167452861
2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59228230
6-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole
CID 59228139
2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole
CID 155366285
6-tert-butyl-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228286
2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228196
2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228018

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole?
The IUPAC name of 6-ethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole (CID 59227964) is 6-ethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 6-ethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 6-ethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole is CCc1ccc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc2c1.
What is the InChIKey of 6-ethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole?
The InChIKey is ARXUYKWTOLXZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2O/c1-2-22-12-18-29-32(20-22)36-33(34-29)24-15-13-23(14-16-24)25-17-19-31-28(21-25)27-10-6-7-11-30(27)35(31)26-8-4-3-5-9-26/h3-21H,2H2,1H3.
What are the key properties of 6-ethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole?
6-ethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole has a molecular weight of 464.57 g/mol, XLogP of 8.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 59227964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).