3-bromo-9-(4-bromophenyl)-6-[9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]carbazole

C66H37Br2N3O2 — CID 90347895

IUPAC3-bromo-9-(4-bromophenyl)-6-[9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]carbazole
SMILESBrc1ccc(-n2c3ccc(Br)cc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)ccc4n5-c4ccc5oc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C66H37Br2N3O2/c67-42-17-20-44(21-18-42)69-59-25-14-41(34-53(59)54-35-43(68)19-28-62(54)69)40-16-27-61-52(33-40)51-32-39(15-26-60(51)71(61)46-23-30-66-56(37-46)49-9-3-6-12-64(49)73-66)38-13-24-58-50(31-38)47-7-1-4-10-57(47)70(58)45-22-29-65-55(36-45)48-8-2-5-11-63(48)72-65/h1-37H
InChIKeyHWJSOROGAXBRFU-UHFFFAOYSA-N
MW1063.85 g/mol
LogP19.64
Rot. Bonds5

About 3-bromo-9-(4-bromophenyl)-6-[9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]carbazole

3-bromo-9-(4-bromophenyl)-6-[9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]carbazole (PubChem CID 90347895) has the molecular formula C66H37Br2N3O2 and a molecular weight of 1063.85 g/mol. Its IUPAC name is 3-bromo-9-(4-bromophenyl)-6-[9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3-bromo-9-(4-bromophenyl)-6-[9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]carbazole
PubChem CID90347895
Molecular FormulaC66H37Br2N3O2
Molecular Weight1063.85 g/mol
Exact Mass1061.13
IUPAC Name3-bromo-9-(4-bromophenyl)-6-[9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]carbazole
SMILESBrc1ccc(-n2c3ccc(Br)cc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)ccc4n5-c4ccc5oc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C66H37Br2N3O2/c67-42-17-20-44(21-18-42)69-59-25-14-41(34-53(59)54-35-43(68)19-28-62(54)69)40-16-27-61-52(33-40)51-32-39(15-26-60(51)71(61)46-23-30-66-56(37-46)49-9-3-6-12-64(49)73-66)38-13-24-58-50(31-38)47-7-1-4-10-57(47)70(58)45-22-29-65-55(36-45)48-8-2-5-11-63(48)72-65/h1-37H
InChIKeyHWJSOROGAXBRFU-UHFFFAOYSA-N
XLogP19.64
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001063.85
LogP ≤ 519.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-(4-bromophenyl)-6-[9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]carbazole?
The IUPAC name of 3-bromo-9-(4-bromophenyl)-6-[9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]carbazole (CID 90347895) is 3-bromo-9-(4-bromophenyl)-6-[9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]carbazole.
What is the SMILES notation for 3-bromo-9-(4-bromophenyl)-6-[9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]carbazole?
The canonical SMILES for 3-bromo-9-(4-bromophenyl)-6-[9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]carbazole is Brc1ccc(-n2c3ccc(Br)cc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)ccc4n5-c4ccc5oc6ccccc6c5c4)ccc32)cc1.
What is the InChIKey of 3-bromo-9-(4-bromophenyl)-6-[9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]carbazole?
The InChIKey is HWJSOROGAXBRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H37Br2N3O2/c67-42-17-20-44(21-18-42)69-59-25-14-41(34-53(59)54-35-43(68)19-28-62(54)69)40-16-27-61-52(33-40)51-32-39(15-26-60(51)71(61)46-23-30-66-56(37-46)49-9-3-6-12-64(49)73-66)38-13-24-58-50(31-38)47-7-1-4-10-57(47)70(58)45-22-29-65-55(36-45)48-8-2-5-11-63(48)72-65/h1-37H.
What are the key properties of 3-bromo-9-(4-bromophenyl)-6-[9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]carbazole?
3-bromo-9-(4-bromophenyl)-6-[9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]carbazole has a molecular weight of 1063.85 g/mol, XLogP of 19.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-(4-bromophenyl)-6-[9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]carbazole is sourced from PubChem (CID 90347895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).