2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)pyridine

C74H45BrN8O4 — CID 158471793

IUPAC2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)pyridine
SMILESBrc1ccc(-c2ccccn2)cc1.c1ccc(-c2ccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)cc2)nc1.c1ccc2oc(-c3ccc4[nH]c5ccc(-c6nc7ccccc7o6)cc5c4c3)nc2c1
InChIInChI=1S/C37H22N4O2.C26H15N3O2.C11H8BrN/c1-3-10-34-30(8-1)39-36(42-34)24-14-18-32-27(21-24)28-22-25(37-40-31-9-2-4-11-35(31)43-37)15-19-33(28)41(32)26-16-12-23(13-17-26)29-7-5-6-20-38-29;1-3-7-23-21(5-1)28-25(30-23)15-9-11-19-17(13-15)18-14-16(10-12-20(18)27-19)26-29-22-6-2-4-8-24(22)31-26;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-22H;1-14,27H;1-8H
InChIKeyHGKYORKTWKXTOC-UHFFFAOYSA-N
MW1190.13 g/mol
LogP19.91
Rot. Bonds7

About 2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)pyridine

2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)pyridine (PubChem CID 158471793) has the molecular formula C74H45BrN8O4 and a molecular weight of 1190.13 g/mol. Its IUPAC name is 2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)pyridine.

Molecular Properties

Compound Name2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)pyridine
PubChem CID158471793
Molecular FormulaC74H45BrN8O4
Molecular Weight1190.13 g/mol
Exact Mass1188.27
IUPAC Name2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)pyridine
SMILESBrc1ccc(-c2ccccn2)cc1.c1ccc(-c2ccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)cc2)nc1.c1ccc2oc(-c3ccc4[nH]c5ccc(-c6nc7ccccc7o6)cc5c4c3)nc2c1
InChIInChI=1S/C37H22N4O2.C26H15N3O2.C11H8BrN/c1-3-10-34-30(8-1)39-36(42-34)24-14-18-32-27(21-24)28-22-25(37-40-31-9-2-4-11-35(31)43-37)15-19-33(28)41(32)26-16-12-23(13-17-26)29-7-5-6-20-38-29;1-3-7-23-21(5-1)28-25(30-23)15-9-11-19-17(13-15)18-14-16(10-12-20(18)27-19)26-29-22-6-2-4-8-24(22)31-26;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-22H;1-14,27H;1-8H
InChIKeyHGKYORKTWKXTOC-UHFFFAOYSA-N
XLogP19.91
TPSA150.62 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001190.13
LogP ≤ 519.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)pyridine with MolForge

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Related Compounds

1,3-Bis(2-(quinolin-6-yl)benzo[d]oxazol-5-yl)benzene
CID 86724828
5-[(Z,3E)-2-(4-bromophenyl)-3-[3-(cyclopenta-2,4-dien-1-ylmethyl)-1,1-dimethylbenzo[e]indol-2-ylidene]prop-1-enyl]-1-(cyclopenta-2,4-dien-1-ylmethyl)-4,4-dimethylpyrrol-1-ium-3-ol;carbanide;tris(cyclopenta-1,3-diene);2-[3-(1-cyclopenta-2,4-dien-1-yl-3H-benzo[g]indol-2-ylidene)-2-phenylprop-1-enyl]-3-(2-phenylethyl)-1,3-benzoxazol-3-ium;3-[(E,3Z)-3-(1,2-dimethylindol-1-ium-3-ylidene)prop-1-enyl]-1,2-dimethylindole;tris(iron(2+));(3Z)-2-methyl-1-(3-methylbutyl)-3-[(E)-3-(2-methyl-1H-indol-3-yl)prop-2-enylidene]-5-(trifluoromethyl)indol-1-ium
CID 157383743
2-[6-(1,3-Benzoxazol-2-yl)-9-[6-[3-(1,3-benzoxazol-2-yl)-6-(2,3-dihydro-1,3-benzoxazol-2-yl)carbazol-9-yl]-9-ethylcarbazol-3-yl]carbazol-3-yl]-1,3-benzoxazole
CID 57591918
(2S)-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-N-[4-[2-[4-[[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 71232115
1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-N-[4-[2-[4-[[1-[2-(5-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 78042906
2-[3-[4-[4-(9H-carbazol-1-yl)phenyl]-3-pyridinyl]-4-pyridinyl]-1,3-benzoxazole
CID 89559618
8-[3-[9-([1]Benzofuro[2,3-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine
CID 89850058
6-[3-[3-([1]Benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-3-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine
CID 90265722
3-[8-[6,9-Bis(5-pyridin-2-ylfuran-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)carbazole
CID 117932267
3-[8-[(3Z,5E)-7-methylidene-1,9-bis(5-pyridin-2-ylfuran-2-yl)-2H-1-benzazonin-5-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)carbazole
CID 117935643
2-[2-[(2S,5R)-2,5-dimethylpiperazin-1-yl]ethyl]-6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazole;2-[2-[(3R,5R)-3,5-dimethylpiperazin-1-yl]ethyl]-6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazole
CID 118386349
2-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazole;2-[2-[(3R,5R)-3,5-dimethylpiperazin-1-yl]ethyl]-6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazole
CID 118386350

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)pyridine?
The IUPAC name of 2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)pyridine (CID 158471793) is 2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)pyridine.
What is the SMILES notation for 2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)pyridine?
The canonical SMILES for 2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)pyridine is Brc1ccc(-c2ccccn2)cc1.c1ccc(-c2ccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)cc2)nc1.c1ccc2oc(-c3ccc4[nH]c5ccc(-c6nc7ccccc7o6)cc5c4c3)nc2c1.
What is the InChIKey of 2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)pyridine?
The InChIKey is HGKYORKTWKXTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N4O2.C26H15N3O2.C11H8BrN/c1-3-10-34-30(8-1)39-36(42-34)24-14-18-32-27(21-24)28-22-25(37-40-31-9-2-4-11-35(31)43-37)15-19-33(28)41(32)26-16-12-23(13-17-26)29-7-5-6-20-38-29;1-3-7-23-21(5-1)28-25(30-23)15-9-11-19-17(13-15)18-14-16(10-12-20(18)27-19)26-29-22-6-2-4-8-24(22)31-26;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-22H;1-14,27H;1-8H.
What are the key properties of 2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)pyridine?
2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)pyridine has a molecular weight of 1190.13 g/mol, XLogP of 19.91, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)pyridine is sourced from PubChem (CID 158471793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).