2-[3-(8-carbazol-9-ylnaphthalen-2-yl)phenyl]-1,3-benzoxazole

C35H22N2O — CID 46187140

IUPAC2-[3-(8-carbazol-9-ylnaphthalen-2-yl)phenyl]-1,3-benzoxazole
SMILESc1cc(-c2ccc3cccc(-n4c5ccccc5c5ccccc54)c3c2)cc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C35H22N2O/c1-4-15-31-27(12-1)28-13-2-5-16-32(28)37(31)33-17-8-9-23-19-20-25(22-29(23)33)24-10-7-11-26(21-24)35-36-30-14-3-6-18-34(30)38-35/h1-22H
InChIKeyRKOTXSKPPLCCKY-UHFFFAOYSA-N
MW486.57 g/mol
LogP9.41
Rot. Bonds3

About 2-[3-(8-carbazol-9-ylnaphthalen-2-yl)phenyl]-1,3-benzoxazole

2-[3-(8-carbazol-9-ylnaphthalen-2-yl)phenyl]-1,3-benzoxazole (PubChem CID 46187140) has the molecular formula C35H22N2O and a molecular weight of 486.57 g/mol. Its IUPAC name is 2-[3-(8-carbazol-9-ylnaphthalen-2-yl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-(8-carbazol-9-ylnaphthalen-2-yl)phenyl]-1,3-benzoxazole
PubChem CID46187140
Molecular FormulaC35H22N2O
Molecular Weight486.57 g/mol
Exact Mass486.17
IUPAC Name2-[3-(8-carbazol-9-ylnaphthalen-2-yl)phenyl]-1,3-benzoxazole
SMILESc1cc(-c2ccc3cccc(-n4c5ccccc5c5ccccc54)c3c2)cc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C35H22N2O/c1-4-15-31-27(12-1)28-13-2-5-16-32(28)37(31)33-17-8-9-23-19-20-25(22-29(23)33)24-10-7-11-26(21-24)35-36-30-14-3-6-18-34(30)38-35/h1-22H
InChIKeyRKOTXSKPPLCCKY-UHFFFAOYSA-N
XLogP9.41
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-benzo[c]carbazol-7-ylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3-benzoxazole
CID 171755384
2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59227934
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
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-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 155366415
2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 177074698
2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole
CID 149442603
8-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]anthracene-1-carbonitrile
CID 171431193
2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59228230
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole
CID 87171339

Frequently Asked Questions

What is the IUPAC name of 2-[3-(8-carbazol-9-ylnaphthalen-2-yl)phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[3-(8-carbazol-9-ylnaphthalen-2-yl)phenyl]-1,3-benzoxazole (CID 46187140) is 2-[3-(8-carbazol-9-ylnaphthalen-2-yl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3-(8-carbazol-9-ylnaphthalen-2-yl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[3-(8-carbazol-9-ylnaphthalen-2-yl)phenyl]-1,3-benzoxazole is c1cc(-c2ccc3cccc(-n4c5ccccc5c5ccccc54)c3c2)cc(-c2nc3ccccc3o2)c1.
What is the InChIKey of 2-[3-(8-carbazol-9-ylnaphthalen-2-yl)phenyl]-1,3-benzoxazole?
The InChIKey is RKOTXSKPPLCCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N2O/c1-4-15-31-27(12-1)28-13-2-5-16-32(28)37(31)33-17-8-9-23-19-20-25(22-29(23)33)24-10-7-11-26(21-24)35-36-30-14-3-6-18-34(30)38-35/h1-22H.
What are the key properties of 2-[3-(8-carbazol-9-ylnaphthalen-2-yl)phenyl]-1,3-benzoxazole?
2-[3-(8-carbazol-9-ylnaphthalen-2-yl)phenyl]-1,3-benzoxazole has a molecular weight of 486.57 g/mol, XLogP of 9.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(8-carbazol-9-ylnaphthalen-2-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 46187140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).