3-(6-bromo-9H-carbazol-3-yl)-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole

C60H34BrN3O2 — CID 90347908

IUPAC3-(6-bromo-9H-carbazol-3-yl)-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole
SMILESBrc1ccc2[nH]c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)ccc4n5-c4ccc5oc6ccccc6c5c4)cc3c2c1
InChIInChI=1S/C60H34BrN3O2/c61-38-17-21-52-45(31-38)44-27-34(13-20-51(44)62-52)36-15-23-55-47(29-36)48-30-37(16-24-56(48)64(55)40-19-26-60-50(33-40)43-9-3-6-12-58(43)66-60)35-14-22-54-46(28-35)41-7-1-4-10-53(41)63(54)39-18-25-59-49(32-39)42-8-2-5-11-57(42)65-59/h1-33,62H
InChIKeyKZCUDUMUPVCEQN-UHFFFAOYSA-N
MW908.86 g/mol
LogP17.41
Rot. Bonds4

About 3-(6-bromo-9H-carbazol-3-yl)-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole

3-(6-bromo-9H-carbazol-3-yl)-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole (PubChem CID 90347908) has the molecular formula C60H34BrN3O2 and a molecular weight of 908.86 g/mol. Its IUPAC name is 3-(6-bromo-9H-carbazol-3-yl)-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3-(6-bromo-9H-carbazol-3-yl)-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole
PubChem CID90347908
Molecular FormulaC60H34BrN3O2
Molecular Weight908.86 g/mol
Exact Mass907.18
IUPAC Name3-(6-bromo-9H-carbazol-3-yl)-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole
SMILESBrc1ccc2[nH]c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)ccc4n5-c4ccc5oc6ccccc6c5c4)cc3c2c1
InChIInChI=1S/C60H34BrN3O2/c61-38-17-21-52-45(31-38)44-27-34(13-20-51(44)62-52)36-15-23-55-47(29-36)48-30-37(16-24-56(48)64(55)40-19-26-60-50(33-40)43-9-3-6-12-58(43)66-60)35-14-22-54-46(28-35)41-7-1-4-10-53(41)63(54)39-18-25-59-49(32-39)42-8-2-5-11-57(42)65-59/h1-33,62H
InChIKeyKZCUDUMUPVCEQN-UHFFFAOYSA-N
XLogP17.41
TPSA51.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.86
LogP ≤ 517.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-9H-carbazol-3-yl)-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole?
The IUPAC name of 3-(6-bromo-9H-carbazol-3-yl)-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole (CID 90347908) is 3-(6-bromo-9H-carbazol-3-yl)-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3-(6-bromo-9H-carbazol-3-yl)-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole?
The canonical SMILES for 3-(6-bromo-9H-carbazol-3-yl)-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole is Brc1ccc2[nH]c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)ccc4n5-c4ccc5oc6ccccc6c5c4)cc3c2c1.
What is the InChIKey of 3-(6-bromo-9H-carbazol-3-yl)-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole?
The InChIKey is KZCUDUMUPVCEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34BrN3O2/c61-38-17-21-52-45(31-38)44-27-34(13-20-51(44)62-52)36-15-23-55-47(29-36)48-30-37(16-24-56(48)64(55)40-19-26-60-50(33-40)43-9-3-6-12-58(43)66-60)35-14-22-54-46(28-35)41-7-1-4-10-53(41)63(54)39-18-25-59-49(32-39)42-8-2-5-11-57(42)65-59/h1-33,62H.
What are the key properties of 3-(6-bromo-9H-carbazol-3-yl)-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole?
3-(6-bromo-9H-carbazol-3-yl)-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole has a molecular weight of 908.86 g/mol, XLogP of 17.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-9H-carbazol-3-yl)-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole is sourced from PubChem (CID 90347908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).