2-[9-[3-[3-(1,3-oxazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzoxazole

C33H20N4O2 — CID 142328212

IUPAC2-[9-[3-[3-(1,3-oxazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzoxazole
SMILESc1cc(-c2ncccc2-c2ncco2)cc(-n2c3ccccc3c3ccc(-c4nc5ccccc5o4)cc32)c1
InChIInChI=1S/C33H20N4O2/c1-3-12-28-24(9-1)25-15-14-22(32-36-27-11-2-4-13-30(27)39-32)20-29(25)37(28)23-8-5-7-21(19-23)31-26(10-6-16-34-31)33-35-17-18-38-33/h1-20H
InChIKeyNKWDWKXCHPFBMH-UHFFFAOYSA-N
MW504.55 g/mol
LogP8.31
Rot. Bonds4

About 2-[9-[3-[3-(1,3-oxazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzoxazole

2-[9-[3-[3-(1,3-oxazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzoxazole (PubChem CID 142328212) has the molecular formula C33H20N4O2 and a molecular weight of 504.55 g/mol. Its IUPAC name is 2-[9-[3-[3-(1,3-oxazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[9-[3-[3-(1,3-oxazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzoxazole
PubChem CID142328212
Molecular FormulaC33H20N4O2
Molecular Weight504.55 g/mol
Exact Mass504.16
IUPAC Name2-[9-[3-[3-(1,3-oxazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzoxazole
SMILESc1cc(-c2ncccc2-c2ncco2)cc(-n2c3ccccc3c3ccc(-c4nc5ccccc5o4)cc32)c1
InChIInChI=1S/C33H20N4O2/c1-3-12-28-24(9-1)25-15-14-22(32-36-27-11-2-4-13-30(27)39-32)20-29(25)37(28)23-8-5-7-21(19-23)31-26(10-6-16-34-31)33-35-17-18-38-33/h1-20H
InChIKeyNKWDWKXCHPFBMH-UHFFFAOYSA-N
XLogP8.31
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.55
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[9-[3-[3-(furan-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 142328834
2-[9-[4-(1,3-oxazol-2-yl)-3-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole
CID 142328655
2-[3-(1,3-oxazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 142329611
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 155444658
2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 153285437
7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 153285686
9-[3-[3-[2-(3-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 122433877
2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole
CID 153087373
2-[4-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 153285096
6-pyridin-4-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 142329421
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59227934

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-[3-(1,3-oxazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-[9-[3-[3-(1,3-oxazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzoxazole (CID 142328212) is 2-[9-[3-[3-(1,3-oxazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[9-[3-[3-(1,3-oxazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[9-[3-[3-(1,3-oxazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzoxazole is c1cc(-c2ncccc2-c2ncco2)cc(-n2c3ccccc3c3ccc(-c4nc5ccccc5o4)cc32)c1.
What is the InChIKey of 2-[9-[3-[3-(1,3-oxazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzoxazole?
The InChIKey is NKWDWKXCHPFBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N4O2/c1-3-12-28-24(9-1)25-15-14-22(32-36-27-11-2-4-13-30(27)39-32)20-29(25)37(28)23-8-5-7-21(19-23)31-26(10-6-16-34-31)33-35-17-18-38-33/h1-20H.
What are the key properties of 2-[9-[3-[3-(1,3-oxazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzoxazole?
2-[9-[3-[3-(1,3-oxazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzoxazole has a molecular weight of 504.55 g/mol, XLogP of 8.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-[3-(1,3-oxazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 142328212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).