4-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole

C35H28N2O — CID 59228094

IUPAC4-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
SMILESCC(C)(C)c1cccc2oc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nc12
InChIInChI=1S/C35H28N2O/c1-35(2,3)29-13-9-15-32-33(29)36-34(38-32)24-18-16-23(17-19-24)25-20-21-31-28(22-25)27-12-7-8-14-30(27)37(31)26-10-5-4-6-11-26/h4-22H,1-3H3
InChIKeyBEIUFZXOAUYKHL-UHFFFAOYSA-N
MW492.62 g/mol
LogP9.56
Rot. Bonds3

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

4-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole (PubChem CID 59228094) has the molecular formula C35H28N2O and a molecular weight of 492.62 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name4-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
PubChem CID59228094
Molecular FormulaC35H28N2O
Molecular Weight492.62 g/mol
Exact Mass492.22
IUPAC Name4-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
SMILESCC(C)(C)c1cccc2oc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nc12
InChIInChI=1S/C35H28N2O/c1-35(2,3)29-13-9-15-32-33(29)36-34(38-32)24-18-16-23(17-19-24)25-20-21-31-28(22-25)27-12-7-8-14-30(27)37(31)26-10-5-4-6-11-26/h4-22H,1-3H3
InChIKeyBEIUFZXOAUYKHL-UHFFFAOYSA-N
XLogP9.56
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 59228064
4-naphthalen-1-yl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 59228162
6-(9-phenylcarbazol-3-yl)-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 158893330
2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228018
2-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphtho[1,2-e][1,3]benzoxazole
CID 135253508
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167452861
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228196
3-(2-tert-butylphenyl)-9-phenylcarbazole
CID 165169210
2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59228230
6-ethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 59227964

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole?
The IUPAC name of 4-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole (CID 59228094) is 4-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 4-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 4-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole is CC(C)(C)c1cccc2oc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nc12.
What is the InChIKey of 4-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole?
The InChIKey is BEIUFZXOAUYKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N2O/c1-35(2,3)29-13-9-15-32-33(29)36-34(38-32)24-18-16-23(17-19-24)25-20-21-31-28(22-25)27-12-7-8-14-30(27)37(31)26-10-5-4-6-11-26/h4-22H,1-3H3.
What are the key properties of 4-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole?
4-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole has a molecular weight of 492.62 g/mol, XLogP of 9.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 59228094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).