3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole

C37H23BrN2 — CID 142353598

IUPAC3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole
SMILESBrc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc23)cn1
InChIInChI=1S/C37H23BrN2/c38-35-21-19-25(23-39-35)37-30-15-6-4-13-28(30)36(29-14-5-7-16-31(29)37)24-18-20-34-32(22-24)27-12-8-9-17-33(27)40(34)26-10-2-1-3-11-26/h1-23H
InChIKeyWYINRHVKEKALIO-UHFFFAOYSA-N
MW575.51 g/mol
LogP10.58
Rot. Bonds3

About 3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole

3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole (PubChem CID 142353598) has the molecular formula C37H23BrN2 and a molecular weight of 575.51 g/mol. Its IUPAC name is 3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole
PubChem CID142353598
Molecular FormulaC37H23BrN2
Molecular Weight575.51 g/mol
Exact Mass574.10
IUPAC Name3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole
SMILESBrc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc23)cn1
InChIInChI=1S/C37H23BrN2/c38-35-21-19-25(23-39-35)37-30-15-6-4-13-28(30)36(29-14-5-7-16-31(29)37)24-18-20-34-32(22-24)27-12-8-9-17-33(27)40(34)26-10-2-1-3-11-26/h1-23H
InChIKeyWYINRHVKEKALIO-UHFFFAOYSA-N
XLogP10.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.51
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole?
The IUPAC name of 3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole (CID 142353598) is 3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole is Brc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc23)cn1.
What is the InChIKey of 3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole?
The InChIKey is WYINRHVKEKALIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23BrN2/c38-35-21-19-25(23-39-35)37-30-15-6-4-13-28(30)36(29-14-5-7-16-31(29)37)24-18-20-34-32(22-24)27-12-8-9-17-33(27)40(34)26-10-2-1-3-11-26/h1-23H.
What are the key properties of 3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole?
3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole has a molecular weight of 575.51 g/mol, XLogP of 10.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 142353598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).