3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-6-(6-bromo-9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]-6-bromo-9-dibenzofuran-2-ylcarbazole

C68H39Br2N3O2 — CID 90347889

IUPAC3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-6-(6-bromo-9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]-6-bromo-9-dibenzofuran-2-ylcarbazole
SMILESBrc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(Br)ccc5n6-c5ccc6oc7ccccc7c6c5)ccc3n4-c3ccc4c(c3)CC4)ccc1n2-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C68H39Br2N3O2/c69-44-16-25-63-55(34-44)53-32-42(14-23-61(53)72(63)47-19-27-67-57(36-47)49-5-1-3-7-65(49)74-67)40-12-21-59-51(30-40)52-31-41(13-22-60(52)71(59)46-18-11-38-9-10-39(38)29-46)43-15-24-62-54(33-43)56-35-45(70)17-26-64(56)73(62)48-20-28-68-58(37-48)50-6-2-4-8-66(50)75-68/h1-8,11-37H,9-10H2
InChIKeyLHGKNASRVXNJDZ-UHFFFAOYSA-N
MW1089.89 g/mol
LogP19.73
Rot. Bonds5

About 3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-6-(6-bromo-9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]-6-bromo-9-dibenzofuran-2-ylcarbazole

3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-6-(6-bromo-9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]-6-bromo-9-dibenzofuran-2-ylcarbazole (PubChem CID 90347889) has the molecular formula C68H39Br2N3O2 and a molecular weight of 1089.89 g/mol. Its IUPAC name is 3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-6-(6-bromo-9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]-6-bromo-9-dibenzofuran-2-ylcarbazole.

Molecular Properties

Compound Name3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-6-(6-bromo-9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]-6-bromo-9-dibenzofuran-2-ylcarbazole
PubChem CID90347889
Molecular FormulaC68H39Br2N3O2
Molecular Weight1089.89 g/mol
Exact Mass1087.14
IUPAC Name3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-6-(6-bromo-9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]-6-bromo-9-dibenzofuran-2-ylcarbazole
SMILESBrc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(Br)ccc5n6-c5ccc6oc7ccccc7c6c5)ccc3n4-c3ccc4c(c3)CC4)ccc1n2-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C68H39Br2N3O2/c69-44-16-25-63-55(34-44)53-32-42(14-23-61(53)72(63)47-19-27-67-57(36-47)49-5-1-3-7-65(49)74-67)40-12-21-59-51(30-40)52-31-41(13-22-60(52)71(59)46-18-11-38-9-10-39(38)29-46)43-15-24-62-54(33-43)56-35-45(70)17-26-64(56)73(62)48-20-28-68-58(37-48)50-6-2-4-8-66(50)75-68/h1-8,11-37H,9-10H2
InChIKeyLHGKNASRVXNJDZ-UHFFFAOYSA-N
XLogP19.73
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001089.89
LogP ≤ 519.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-6-(6-bromo-9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]-6-bromo-9-dibenzofuran-2-ylcarbazole with MolForge

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Related Compounds

9-dibenzofuran-2-yl-3-(9,10-dihydrophenanthren-3-yl)carbazole
CID 129200556
9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 118488369
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
CID 177209623
CID 177209623
3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]-9-(3,5-dibromophenyl)carbazole
CID 159278200
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-6-(6-bromo-9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]-6-bromo-9-dibenzofuran-2-ylcarbazole?
The IUPAC name of 3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-6-(6-bromo-9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]-6-bromo-9-dibenzofuran-2-ylcarbazole (CID 90347889) is 3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-6-(6-bromo-9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]-6-bromo-9-dibenzofuran-2-ylcarbazole.
What is the SMILES notation for 3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-6-(6-bromo-9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]-6-bromo-9-dibenzofuran-2-ylcarbazole?
The canonical SMILES for 3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-6-(6-bromo-9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]-6-bromo-9-dibenzofuran-2-ylcarbazole is Brc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(Br)ccc5n6-c5ccc6oc7ccccc7c6c5)ccc3n4-c3ccc4c(c3)CC4)ccc1n2-c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-6-(6-bromo-9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]-6-bromo-9-dibenzofuran-2-ylcarbazole?
The InChIKey is LHGKNASRVXNJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H39Br2N3O2/c69-44-16-25-63-55(34-44)53-32-42(14-23-61(53)72(63)47-19-27-67-57(36-47)49-5-1-3-7-65(49)74-67)40-12-21-59-51(30-40)52-31-41(13-22-60(52)71(59)46-18-11-38-9-10-39(38)29-46)43-15-24-62-54(33-43)56-35-45(70)17-26-64(56)73(62)48-20-28-68-58(37-48)50-6-2-4-8-66(50)75-68/h1-8,11-37H,9-10H2.
What are the key properties of 3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-6-(6-bromo-9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]-6-bromo-9-dibenzofuran-2-ylcarbazole?
3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-6-(6-bromo-9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]-6-bromo-9-dibenzofuran-2-ylcarbazole has a molecular weight of 1089.89 g/mol, XLogP of 19.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-6-(6-bromo-9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]-6-bromo-9-dibenzofuran-2-ylcarbazole is sourced from PubChem (CID 90347889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).