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

C35H28N2O — CID 59228064

IUPAC7-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
SMILESCC(C)(C)c1cccc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc12
InChIInChI=1S/C35H28N2O/c1-35(2,3)29-13-9-14-30-33(29)38-34(36-30)24-18-16-23(17-19-24)25-20-21-32-28(22-25)27-12-7-8-15-31(27)37(32)26-10-5-4-6-11-26/h4-22H,1-3H3
InChIKeyDOQGGVPZRNXVOD-UHFFFAOYSA-N
MW492.62 g/mol
LogP9.56
Rot. Bonds3

About 7-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole

7-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole (PubChem CID 59228064) has the molecular formula C35H28N2O and a molecular weight of 492.62 g/mol. Its IUPAC name is 7-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name7-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
PubChem CID59228064
Molecular FormulaC35H28N2O
Molecular Weight492.62 g/mol
Exact Mass492.22
IUPAC Name7-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
SMILESCC(C)(C)c1cccc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc12
InChIInChI=1S/C35H28N2O/c1-35(2,3)29-13-9-14-30-33(29)38-34(36-30)24-18-16-23(17-19-24)25-20-21-32-28(22-25)27-12-7-8-15-31(27)37(32)26-10-5-4-6-11-26/h4-22H,1-3H3
InChIKeyDOQGGVPZRNXVOD-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

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Related Compounds

4-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 59228094
6-(9-phenylcarbazol-3-yl)-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 158893330
2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167452861
2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228018
7-tert-butyl-2-phenyl-1,3-benzoxazole
CID 175772707
2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[2,3-g][1,3]benzoxazole
CID 167453652
7-iodo-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228464
5,7-ditert-butyl-2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228523
5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole
CID 59228151
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
2-phenyl-7-[4-(9-phenylcarbazol-3-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 176756301
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole?
The IUPAC name of 7-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole (CID 59228064) is 7-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 7-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 7-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole is CC(C)(C)c1cccc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc12.
What is the InChIKey of 7-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole?
The InChIKey is DOQGGVPZRNXVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N2O/c1-35(2,3)29-13-9-14-30-33(29)38-34(36-30)24-18-16-23(17-19-24)25-20-21-32-28(22-25)27-12-7-8-15-31(27)37(32)26-10-5-4-6-11-26/h4-22H,1-3H3.
What are the key properties of 7-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole?
7-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 7-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 59228064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).