6-bromo-2-[4-[2-[2-[4-[4-[5-[2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-ethyl-1,3-oxazol-4-yl]pent-4-en-2-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-1,3-benzoxazole

C89H63BrN4O2 — CID 91197763

IUPAC6-bromo-2-[4-[2-[2-[4-[4-[5-[2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-ethyl-1,3-oxazol-4-yl]pent-4-en-2-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-1,3-benzoxazole
SMILESCCc1oc(-c2ccc(-c3ccccc3-c3ccccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)nc1C=CCC(C)c1cccc2c1c1ccccc1n2-c1ccc(-c2ccccc2-c2ccccc2-c2ccc(-c3nc4ccc(Br)cc4o3)cc2)cc1
InChIInChI=1S/C89H63BrN4O2/c1-3-85-79(91-88(95-85)62-42-38-58(39-43-62)68-21-4-8-25-72(68)74-27-10-6-23-70(74)60-46-51-65(52-47-60)93-81-34-15-12-29-76(81)77-30-13-16-35-82(77)93)33-18-20-57(2)67-32-19-37-84-87(67)78-31-14-17-36-83(78)94(84)66-53-48-61(49-54-66)71-24-7-11-28-75(71)73-26-9-5-22-69(73)59-40-44-63(45-41-59)89-92-80-55-50-64(90)56-86(80)96-89/h4-19,21-57H,3,20H2,1-2H3
InChIKeyLQWPCZZSRNGGIF-UHFFFAOYSA-N
MW1300.41 g/mol
LogP24.88
Rot. Bonds15

About 6-bromo-2-[4-[2-[2-[4-[4-[5-[2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-ethyl-1,3-oxazol-4-yl]pent-4-en-2-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-1,3-benzoxazole

6-bromo-2-[4-[2-[2-[4-[4-[5-[2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-ethyl-1,3-oxazol-4-yl]pent-4-en-2-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-1,3-benzoxazole (PubChem CID 91197763) has the molecular formula C89H63BrN4O2 and a molecular weight of 1300.41 g/mol. Its IUPAC name is 6-bromo-2-[4-[2-[2-[4-[4-[5-[2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-ethyl-1,3-oxazol-4-yl]pent-4-en-2-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-bromo-2-[4-[2-[2-[4-[4-[5-[2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-ethyl-1,3-oxazol-4-yl]pent-4-en-2-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-1,3-benzoxazole
PubChem CID91197763
Molecular FormulaC89H63BrN4O2
Molecular Weight1300.41 g/mol
Exact Mass1298.41
IUPAC Name6-bromo-2-[4-[2-[2-[4-[4-[5-[2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-ethyl-1,3-oxazol-4-yl]pent-4-en-2-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-1,3-benzoxazole
SMILESCCc1oc(-c2ccc(-c3ccccc3-c3ccccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)nc1C=CCC(C)c1cccc2c1c1ccccc1n2-c1ccc(-c2ccccc2-c2ccccc2-c2ccc(-c3nc4ccc(Br)cc4o3)cc2)cc1
InChIInChI=1S/C89H63BrN4O2/c1-3-85-79(91-88(95-85)62-42-38-58(39-43-62)68-21-4-8-25-72(68)74-27-10-6-23-70(74)60-46-51-65(52-47-60)93-81-34-15-12-29-76(81)77-30-13-16-35-82(77)93)33-18-20-57(2)67-32-19-37-84-87(67)78-31-14-17-36-83(78)94(84)66-53-48-61(49-54-66)71-24-7-11-28-75(71)73-26-9-5-22-69(73)59-40-44-63(45-41-59)89-92-80-55-50-64(90)56-86(80)96-89/h4-19,21-57H,3,20H2,1-2H3
InChIKeyLQWPCZZSRNGGIF-UHFFFAOYSA-N
XLogP24.88
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001300.41
LogP ≤ 524.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-bromo-2-[4-[2-[2-[4-[4-[5-[2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-ethyl-1,3-oxazol-4-yl]pent-4-en-2-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[4-[2-[2-[4-[4-[5-[2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-ethyl-1,3-oxazol-4-yl]pent-4-en-2-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-1,3-benzoxazole?
The IUPAC name of 6-bromo-2-[4-[2-[2-[4-[4-[5-[2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-ethyl-1,3-oxazol-4-yl]pent-4-en-2-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-1,3-benzoxazole (CID 91197763) is 6-bromo-2-[4-[2-[2-[4-[4-[5-[2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-ethyl-1,3-oxazol-4-yl]pent-4-en-2-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 6-bromo-2-[4-[2-[2-[4-[4-[5-[2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-ethyl-1,3-oxazol-4-yl]pent-4-en-2-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 6-bromo-2-[4-[2-[2-[4-[4-[5-[2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-ethyl-1,3-oxazol-4-yl]pent-4-en-2-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-1,3-benzoxazole is CCc1oc(-c2ccc(-c3ccccc3-c3ccccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)nc1C=CCC(C)c1cccc2c1c1ccccc1n2-c1ccc(-c2ccccc2-c2ccccc2-c2ccc(-c3nc4ccc(Br)cc4o3)cc2)cc1.
What is the InChIKey of 6-bromo-2-[4-[2-[2-[4-[4-[5-[2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-ethyl-1,3-oxazol-4-yl]pent-4-en-2-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-1,3-benzoxazole?
The InChIKey is LQWPCZZSRNGGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H63BrN4O2/c1-3-85-79(91-88(95-85)62-42-38-58(39-43-62)68-21-4-8-25-72(68)74-27-10-6-23-70(74)60-46-51-65(52-47-60)93-81-34-15-12-29-76(81)77-30-13-16-35-82(77)93)33-18-20-57(2)67-32-19-37-84-87(67)78-31-14-17-36-83(78)94(84)66-53-48-61(49-54-66)71-24-7-11-28-75(71)73-26-9-5-22-69(73)59-40-44-63(45-41-59)89-92-80-55-50-64(90)56-86(80)96-89/h4-19,21-57H,3,20H2,1-2H3.
What are the key properties of 6-bromo-2-[4-[2-[2-[4-[4-[5-[2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-ethyl-1,3-oxazol-4-yl]pent-4-en-2-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-1,3-benzoxazole?
6-bromo-2-[4-[2-[2-[4-[4-[5-[2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-ethyl-1,3-oxazol-4-yl]pent-4-en-2-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-1,3-benzoxazole has a molecular weight of 1300.41 g/mol, XLogP of 24.88, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[4-[2-[2-[4-[4-[5-[2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-ethyl-1,3-oxazol-4-yl]pent-4-en-2-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 91197763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).