3-bromo-6-(9-phenylcarbazol-3-yl)-9H-carbazole

C30H19BrN2 — CID 90349645

IUPAC3-bromo-6-(9-phenylcarbazol-3-yl)-9H-carbazole
SMILESBrc1ccc2[nH]c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c2c1
InChIInChI=1S/C30H19BrN2/c31-21-12-14-28-25(18-21)24-16-19(10-13-27(24)32-28)20-11-15-30-26(17-20)23-8-4-5-9-29(23)33(30)22-6-2-1-3-7-22/h1-18,32H
InChIKeyQBFJPAZLXGMKOI-UHFFFAOYSA-N
MW487.40 g/mol
LogP8.85
Rot. Bonds2

About 3-bromo-6-(9-phenylcarbazol-3-yl)-9H-carbazole

3-bromo-6-(9-phenylcarbazol-3-yl)-9H-carbazole (PubChem CID 90349645) has the molecular formula C30H19BrN2 and a molecular weight of 487.40 g/mol. Its IUPAC name is 3-bromo-6-(9-phenylcarbazol-3-yl)-9H-carbazole.

Molecular Properties

Compound Name3-bromo-6-(9-phenylcarbazol-3-yl)-9H-carbazole
PubChem CID90349645
Molecular FormulaC30H19BrN2
Molecular Weight487.40 g/mol
Exact Mass486.07
IUPAC Name3-bromo-6-(9-phenylcarbazol-3-yl)-9H-carbazole
SMILESBrc1ccc2[nH]c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c2c1
InChIInChI=1S/C30H19BrN2/c31-21-12-14-28-25(18-21)24-16-19(10-13-27(24)32-28)20-11-15-30-26(17-20)23-8-4-5-9-29(23)33(30)22-6-2-1-3-7-22/h1-18,32H
InChIKeyQBFJPAZLXGMKOI-UHFFFAOYSA-N
XLogP8.85
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.40
LogP ≤ 58.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(9-phenylcarbazol-3-yl)-9H-carbazole?
The IUPAC name of 3-bromo-6-(9-phenylcarbazol-3-yl)-9H-carbazole (CID 90349645) is 3-bromo-6-(9-phenylcarbazol-3-yl)-9H-carbazole.
What is the SMILES notation for 3-bromo-6-(9-phenylcarbazol-3-yl)-9H-carbazole?
The canonical SMILES for 3-bromo-6-(9-phenylcarbazol-3-yl)-9H-carbazole is Brc1ccc2[nH]c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c2c1.
What is the InChIKey of 3-bromo-6-(9-phenylcarbazol-3-yl)-9H-carbazole?
The InChIKey is QBFJPAZLXGMKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19BrN2/c31-21-12-14-28-25(18-21)24-16-19(10-13-27(24)32-28)20-11-15-30-26(17-20)23-8-4-5-9-29(23)33(30)22-6-2-1-3-7-22/h1-18,32H.
What are the key properties of 3-bromo-6-(9-phenylcarbazol-3-yl)-9H-carbazole?
3-bromo-6-(9-phenylcarbazol-3-yl)-9H-carbazole has a molecular weight of 487.40 g/mol, XLogP of 8.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(9-phenylcarbazol-3-yl)-9H-carbazole is sourced from PubChem (CID 90349645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).