2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(4-methylphenyl)-1,3-benzoxazole

C38H26N2O — CID 59228233

IUPAC2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(4-methylphenyl)-1,3-benzoxazole
SMILESCc1ccc(-c2ccc3oc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)nc3c2)cc1
InChIInChI=1S/C38H26N2O/c1-25-10-12-28(13-11-25)30-20-23-37-34(24-30)39-38(41-37)29-16-14-26(15-17-29)27-18-21-31(22-19-27)40-35-8-4-2-6-32(35)33-7-3-5-9-36(33)40/h2-24H,1H3
InChIKeyIHNREUIWJVKXQJ-UHFFFAOYSA-N
MW526.64 g/mol
LogP10.23
Rot. Bonds4

About 2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(4-methylphenyl)-1,3-benzoxazole

2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(4-methylphenyl)-1,3-benzoxazole (PubChem CID 59228233) has the molecular formula C38H26N2O and a molecular weight of 526.64 g/mol. Its IUPAC name is 2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(4-methylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(4-methylphenyl)-1,3-benzoxazole
PubChem CID59228233
Molecular FormulaC38H26N2O
Molecular Weight526.64 g/mol
Exact Mass526.20
IUPAC Name2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(4-methylphenyl)-1,3-benzoxazole
SMILESCc1ccc(-c2ccc3oc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)nc3c2)cc1
InChIInChI=1S/C38H26N2O/c1-25-10-12-28(13-11-25)30-20-23-37-34(24-30)39-38(41-37)29-16-14-26(15-17-29)27-18-21-31(22-19-27)40-35-8-4-2-6-32(35)33-7-3-5-9-36(33)40/h2-24H,1H3
InChIKeyIHNREUIWJVKXQJ-UHFFFAOYSA-N
XLogP10.23
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.64
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 59228349
5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 170681699
2-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-1,3-benzoxazole
CID 126702335
5-methyl-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228340
2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole
CID 59228217
2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-6-methyl-1,3-benzoxazole
CID 143952806
2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228018
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
6-(9-phenylcarbazol-3-yl)-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 158893330
2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole
CID 137473397
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(4-methylphenyl)-1,3-benzoxazole?
The IUPAC name of 2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(4-methylphenyl)-1,3-benzoxazole (CID 59228233) is 2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(4-methylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(4-methylphenyl)-1,3-benzoxazole?
The canonical SMILES for 2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(4-methylphenyl)-1,3-benzoxazole is Cc1ccc(-c2ccc3oc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)nc3c2)cc1.
What is the InChIKey of 2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(4-methylphenyl)-1,3-benzoxazole?
The InChIKey is IHNREUIWJVKXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N2O/c1-25-10-12-28(13-11-25)30-20-23-37-34(24-30)39-38(41-37)29-16-14-26(15-17-29)27-18-21-31(22-19-27)40-35-8-4-2-6-32(35)33-7-3-5-9-36(33)40/h2-24H,1H3.
What are the key properties of 2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(4-methylphenyl)-1,3-benzoxazole?
2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(4-methylphenyl)-1,3-benzoxazole has a molecular weight of 526.64 g/mol, XLogP of 10.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(4-methylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 59228233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).