2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole

C35H28N2O — CID 59228018

IUPAC2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5nc6ccccc6o5)cc4)ccc32)cc1
InChIInChI=1S/C35H28N2O/c1-35(2,3)26-17-19-27(20-18-26)37-31-10-6-4-8-28(31)29-22-25(16-21-32(29)37)23-12-14-24(15-13-23)34-36-30-9-5-7-11-33(30)38-34/h4-22H,1-3H3
InChIKeyKAOMPMHCKKBMBA-UHFFFAOYSA-N
MW492.62 g/mol
LogP9.56
Rot. Bonds3

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

2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole (PubChem CID 59228018) has the molecular formula C35H28N2O and a molecular weight of 492.62 g/mol. Its IUPAC name is 2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
PubChem CID59228018
Molecular FormulaC35H28N2O
Molecular Weight492.62 g/mol
Exact Mass492.22
IUPAC Name2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5nc6ccccc6o5)cc4)ccc32)cc1
InChIInChI=1S/C35H28N2O/c1-35(2,3)26-17-19-27(20-18-26)37-31-10-6-4-8-28(31)29-22-25(16-21-32(29)37)23-12-14-24(15-13-23)34-36-30-9-5-7-11-33(30)38-34/h4-22H,1-3H3
InChIKeyKAOMPMHCKKBMBA-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

2-[4-[2-[2-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228443
6-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole
CID 59228139
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 177074698
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59228230
6-(9-phenylcarbazol-3-yl)-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 158893330
2-[4-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3-benzoxazole
CID 59227953
2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155444605
2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole
CID 155366285
2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(4-methylphenyl)-1,3-benzoxazole
CID 59228233
2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228196

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole (CID 59228018) is 2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole is CC(C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5nc6ccccc6o5)cc4)ccc32)cc1.
What is the InChIKey of 2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole?
The InChIKey is KAOMPMHCKKBMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N2O/c1-35(2,3)26-17-19-27(20-18-26)37-31-10-6-4-8-28(31)29-22-25(16-21-32(29)37)23-12-14-24(15-13-23)34-36-30-9-5-7-11-33(30)38-34/h4-22H,1-3H3.
What are the key properties of 2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole?
2-[4-[9-(4-tert-butylphenyl)carbazol-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 2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 59228018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).