3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole

C31H20N2O — CID 153493026

IUPAC3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole
SMILESc1ccc(-c2noc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)cc1
InChIInChI=1S/C31H20N2O/c1-3-9-21(10-4-1)31-27-20-23(16-18-30(27)34-32-31)22-15-17-29-26(19-22)25-13-7-8-14-28(25)33(29)24-11-5-2-6-12-24/h1-20H
InChIKeyBGMGFLBWCRTQPX-UHFFFAOYSA-N
MW436.51 g/mol
LogP8.26
Rot. Bonds3

About 3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole

3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole (PubChem CID 153493026) has the molecular formula C31H20N2O and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole.

Molecular Properties

Compound Name3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole
PubChem CID153493026
Molecular FormulaC31H20N2O
Molecular Weight436.51 g/mol
Exact Mass436.16
IUPAC Name3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole
SMILESc1ccc(-c2noc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)cc1
InChIInChI=1S/C31H20N2O/c1-3-9-21(10-4-1)31-27-20-23(16-18-30(27)34-32-31)22-15-17-29-26(19-22)25-13-7-8-14-28(25)33(29)24-11-5-2-6-12-24/h1-20H
InChIKeyBGMGFLBWCRTQPX-UHFFFAOYSA-N
XLogP8.26
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-[9-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 155120354

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole?
The IUPAC name of 3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole (CID 153493026) is 3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole.
What is the SMILES notation for 3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole?
The canonical SMILES for 3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole is c1ccc(-c2noc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)cc1.
What is the InChIKey of 3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole?
The InChIKey is BGMGFLBWCRTQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2O/c1-3-9-21(10-4-1)31-27-20-23(16-18-30(27)34-32-31)22-15-17-29-26(19-22)25-13-7-8-14-28(25)33(29)24-11-5-2-6-12-24/h1-20H.
What are the key properties of 3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole?
3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole has a molecular weight of 436.51 g/mol, XLogP of 8.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole is sourced from PubChem (CID 153493026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).