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

C78H45BrN8O6 — CID 162202444

IUPAC2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)-1,3-benzoxazole
SMILESBrc1ccc(-c2nc3ccccc3o2)cc1.c1ccc2oc(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7ccccc7o6)ccc54)cc3)nc2c1.c1ccc2oc(-c3ccc4[nH]c5ccc(-c6nc7ccccc7o6)cc5c4c3)nc2c1
InChIInChI=1S/C39H22N4O3.C26H15N3O2.C13H8BrNO/c1-4-10-34-29(7-1)40-37(44-34)23-13-17-26(18-14-23)43-32-19-15-24(38-41-30-8-2-5-11-35(30)45-38)21-27(32)28-22-25(16-20-33(28)43)39-42-31-9-3-6-12-36(31)46-39;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;14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-22H;1-14,27H;1-8H
InChIKeyZRTNOPVORWPQFW-UHFFFAOYSA-N
MW1270.17 g/mol
LogP21.40
Rot. Bonds7

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

2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)-1,3-benzoxazole (PubChem CID 162202444) has the molecular formula C78H45BrN8O6 and a molecular weight of 1270.17 g/mol. Its IUPAC name is 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)-1,3-benzoxazole
PubChem CID162202444
Molecular FormulaC78H45BrN8O6
Molecular Weight1270.17 g/mol
Exact Mass1268.26
IUPAC Name2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)-1,3-benzoxazole
SMILESBrc1ccc(-c2nc3ccccc3o2)cc1.c1ccc2oc(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7ccccc7o6)ccc54)cc3)nc2c1.c1ccc2oc(-c3ccc4[nH]c5ccc(-c6nc7ccccc7o6)cc5c4c3)nc2c1
InChIInChI=1S/C39H22N4O3.C26H15N3O2.C13H8BrNO/c1-4-10-34-29(7-1)40-37(44-34)23-13-17-26(18-14-23)43-32-19-15-24(38-41-30-8-2-5-11-35(30)45-38)21-27(32)28-22-25(16-20-33(28)43)39-42-31-9-3-6-12-36(31)46-39;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;14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-22H;1-14,27H;1-8H
InChIKeyZRTNOPVORWPQFW-UHFFFAOYSA-N
XLogP21.40
TPSA176.90 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001270.17
LogP ≤ 521.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

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

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Related Compounds

2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole
CID 155366285
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-[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
2-[4-[3,6-di(quinolin-3-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 171851966
2-[4-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3-benzoxazole
CID 59227953
4-(1,3-benzoxazol-2-yl)-N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenylaniline
CID 59500916
2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59227934
2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228018
2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228242
2-(4-bromophenyl)-3-phenylquinoxaline;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazole
CID 159932179

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)-1,3-benzoxazole?
The IUPAC name of 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)-1,3-benzoxazole (CID 162202444) is 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)-1,3-benzoxazole?
The canonical SMILES for 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)-1,3-benzoxazole is Brc1ccc(-c2nc3ccccc3o2)cc1.c1ccc2oc(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7ccccc7o6)ccc54)cc3)nc2c1.c1ccc2oc(-c3ccc4[nH]c5ccc(-c6nc7ccccc7o6)cc5c4c3)nc2c1.
What is the InChIKey of 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)-1,3-benzoxazole?
The InChIKey is ZRTNOPVORWPQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22N4O3.C26H15N3O2.C13H8BrNO/c1-4-10-34-29(7-1)40-37(44-34)23-13-17-26(18-14-23)43-32-19-15-24(38-41-30-8-2-5-11-35(30)45-38)21-27(32)28-22-25(16-20-33(28)43)39-42-31-9-3-6-12-36(31)46-39;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;14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-22H;1-14,27H;1-8H.
What are the key properties of 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)-1,3-benzoxazole?
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)-1,3-benzoxazole has a molecular weight of 1270.17 g/mol, XLogP of 21.40, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9H-carbazol-3-yl]-1,3-benzoxazole;2-(4-bromophenyl)-1,3-benzoxazole is sourced from PubChem (CID 162202444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).