2-[9-[8-bromo-1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazol-3-yl]-1,3-benzoxazole

C49H28BrN3O2 — CID 164805729

IUPAC2-[9-[8-bromo-1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazol-3-yl]-1,3-benzoxazole
SMILESBrc1ccc2oc3cc(-n4c5ccccc5c5cc(-c6nc7ccccc7o6)ccc54)cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3c2c1
InChIInChI=1S/C49H28BrN3O2/c50-30-22-24-44-38(26-30)48-37(34-15-10-19-43-47(34)35-14-5-8-18-41(35)52(43)31-11-2-1-3-12-31)27-32(28-46(48)54-44)53-40-17-7-4-13-33(40)36-25-29(21-23-42(36)53)49-51-39-16-6-9-20-45(39)55-49/h1-28H
InChIKeyCNACTFLPWUMUBR-UHFFFAOYSA-N
MW770.69 g/mol
LogP14.02
Rot. Bonds4

About 2-[9-[8-bromo-1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazol-3-yl]-1,3-benzoxazole

2-[9-[8-bromo-1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazol-3-yl]-1,3-benzoxazole (PubChem CID 164805729) has the molecular formula C49H28BrN3O2 and a molecular weight of 770.69 g/mol. Its IUPAC name is 2-[9-[8-bromo-1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazol-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[9-[8-bromo-1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazol-3-yl]-1,3-benzoxazole
PubChem CID164805729
Molecular FormulaC49H28BrN3O2
Molecular Weight770.69 g/mol
Exact Mass769.14
IUPAC Name2-[9-[8-bromo-1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazol-3-yl]-1,3-benzoxazole
SMILESBrc1ccc2oc3cc(-n4c5ccccc5c5cc(-c6nc7ccccc7o6)ccc54)cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3c2c1
InChIInChI=1S/C49H28BrN3O2/c50-30-22-24-44-38(26-30)48-37(34-15-10-19-43-47(34)35-14-5-8-18-41(35)52(43)31-11-2-1-3-12-31)27-32(28-46(48)54-44)53-40-17-7-4-13-33(40)36-25-29(21-23-42(36)53)49-51-39-16-6-9-20-45(39)55-49/h1-28H
InChIKeyCNACTFLPWUMUBR-UHFFFAOYSA-N
XLogP14.02
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.69
LogP ≤ 514.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-1,3-benzoxazole;2-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole;2-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole;2-[9-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole
CID 160699885
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-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59227934
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
9-phenyl-14-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134515861
2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228196
2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167452861
2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155444605
9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole
CID 134594831
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(4-phenylquinolin-2-yl)carbazole
CID 138475094
3-[3-(3-bromophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]-9-dibenzofuran-2-ylcarbazole
CID 118289106

Frequently Asked Questions

What is the IUPAC name of 2-[9-[8-bromo-1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazol-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[9-[8-bromo-1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazol-3-yl]-1,3-benzoxazole (CID 164805729) is 2-[9-[8-bromo-1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazol-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[9-[8-bromo-1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazol-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[9-[8-bromo-1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazol-3-yl]-1,3-benzoxazole is Brc1ccc2oc3cc(-n4c5ccccc5c5cc(-c6nc7ccccc7o6)ccc54)cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3c2c1.
What is the InChIKey of 2-[9-[8-bromo-1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazol-3-yl]-1,3-benzoxazole?
The InChIKey is CNACTFLPWUMUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28BrN3O2/c50-30-22-24-44-38(26-30)48-37(34-15-10-19-43-47(34)35-14-5-8-18-41(35)52(43)31-11-2-1-3-12-31)27-32(28-46(48)54-44)53-40-17-7-4-13-33(40)36-25-29(21-23-42(36)53)49-51-39-16-6-9-20-45(39)55-49/h1-28H.
What are the key properties of 2-[9-[8-bromo-1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazol-3-yl]-1,3-benzoxazole?
2-[9-[8-bromo-1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazol-3-yl]-1,3-benzoxazole has a molecular weight of 770.69 g/mol, XLogP of 14.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[8-bromo-1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazol-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 164805729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).