2-[2-bromo-10-(9H-carbazol-2-yl)anthracen-9-yl]-9H-carbazole

C38H23BrN2 — CID 171477204

IUPAC2-[2-bromo-10-(9H-carbazol-2-yl)anthracen-9-yl]-9H-carbazole
SMILESBrc1ccc2c(-c3ccc4c(c3)[nH]c3ccccc34)c3ccccc3c(-c3ccc4c(c3)[nH]c3ccccc34)c2c1
InChIInChI=1S/C38H23BrN2/c39-24-15-18-31-32(21-24)38(23-14-17-28-26-8-4-6-12-34(26)41-36(28)20-23)30-10-2-1-9-29(30)37(31)22-13-16-27-25-7-3-5-11-33(25)40-35(27)19-22/h1-21,40-41H
InChIKeyYBIFLFNZVHKDGP-UHFFFAOYSA-N
MW587.52 g/mol
LogP11.36
Rot. Bonds2

About 2-[2-bromo-10-(9H-carbazol-2-yl)anthracen-9-yl]-9H-carbazole

2-[2-bromo-10-(9H-carbazol-2-yl)anthracen-9-yl]-9H-carbazole (PubChem CID 171477204) has the molecular formula C38H23BrN2 and a molecular weight of 587.52 g/mol. Its IUPAC name is 2-[2-bromo-10-(9H-carbazol-2-yl)anthracen-9-yl]-9H-carbazole.

Molecular Properties

Compound Name2-[2-bromo-10-(9H-carbazol-2-yl)anthracen-9-yl]-9H-carbazole
PubChem CID171477204
Molecular FormulaC38H23BrN2
Molecular Weight587.52 g/mol
Exact Mass586.10
IUPAC Name2-[2-bromo-10-(9H-carbazol-2-yl)anthracen-9-yl]-9H-carbazole
SMILESBrc1ccc2c(-c3ccc4c(c3)[nH]c3ccccc34)c3ccccc3c(-c3ccc4c(c3)[nH]c3ccccc34)c2c1
InChIInChI=1S/C38H23BrN2/c39-24-15-18-31-32(21-24)38(23-14-17-28-26-8-4-6-12-34(26)41-36(28)20-23)30-10-2-1-9-29(30)37(31)22-13-16-27-25-7-3-5-11-33(25)40-35(27)19-22/h1-21,40-41H
InChIKeyYBIFLFNZVHKDGP-UHFFFAOYSA-N
XLogP11.36
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.52
LogP ≤ 511.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-10-(9H-carbazol-2-yl)anthracen-9-yl]-9H-carbazole?
The IUPAC name of 2-[2-bromo-10-(9H-carbazol-2-yl)anthracen-9-yl]-9H-carbazole (CID 171477204) is 2-[2-bromo-10-(9H-carbazol-2-yl)anthracen-9-yl]-9H-carbazole.
What is the SMILES notation for 2-[2-bromo-10-(9H-carbazol-2-yl)anthracen-9-yl]-9H-carbazole?
The canonical SMILES for 2-[2-bromo-10-(9H-carbazol-2-yl)anthracen-9-yl]-9H-carbazole is Brc1ccc2c(-c3ccc4c(c3)[nH]c3ccccc34)c3ccccc3c(-c3ccc4c(c3)[nH]c3ccccc34)c2c1.
What is the InChIKey of 2-[2-bromo-10-(9H-carbazol-2-yl)anthracen-9-yl]-9H-carbazole?
The InChIKey is YBIFLFNZVHKDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23BrN2/c39-24-15-18-31-32(21-24)38(23-14-17-28-26-8-4-6-12-34(26)41-36(28)20-23)30-10-2-1-9-29(30)37(31)22-13-16-27-25-7-3-5-11-33(25)40-35(27)19-22/h1-21,40-41H.
What are the key properties of 2-[2-bromo-10-(9H-carbazol-2-yl)anthracen-9-yl]-9H-carbazole?
2-[2-bromo-10-(9H-carbazol-2-yl)anthracen-9-yl]-9H-carbazole has a molecular weight of 587.52 g/mol, XLogP of 11.36, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-10-(9H-carbazol-2-yl)anthracen-9-yl]-9H-carbazole is sourced from PubChem (CID 171477204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).