2-bromo-9,10-dinaphthalen-2-ylanthracene

C34H21Br — CID 22247157

IUPAC2-bromo-9,10-dinaphthalen-2-ylanthracene
SMILESBrc1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C34H21Br/c35-28-17-18-31-32(21-28)34(27-16-14-23-8-2-4-10-25(23)20-27)30-12-6-5-11-29(30)33(31)26-15-13-22-7-1-3-9-24(22)19-26/h1-21H
InChIKeyNNVPXSAMRFIMLP-UHFFFAOYSA-N
MW509.45 g/mol
LogP10.40
Rot. Bonds2

About 2-bromo-9,10-dinaphthalen-2-ylanthracene

2-bromo-9,10-dinaphthalen-2-ylanthracene (PubChem CID 22247157) has the molecular formula C34H21Br and a molecular weight of 509.45 g/mol. Its IUPAC name is 2-bromo-9,10-dinaphthalen-2-ylanthracene.

Molecular Properties

Compound Name2-bromo-9,10-dinaphthalen-2-ylanthracene
PubChem CID22247157
Molecular FormulaC34H21Br
Molecular Weight509.45 g/mol
Exact Mass508.08
IUPAC Name2-bromo-9,10-dinaphthalen-2-ylanthracene
SMILESBrc1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C34H21Br/c35-28-17-18-31-32(21-28)34(27-16-14-23-8-2-4-10-25(23)20-27)30-12-6-5-11-29(30)33(31)26-15-13-22-7-1-3-9-24(22)19-26/h1-21H
InChIKeyNNVPXSAMRFIMLP-UHFFFAOYSA-N
XLogP10.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.45
LogP ≤ 510.40
H-Bond Donors ≤ 50
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-bromo-9,10-dinaphthalen-2-ylanthracene?
The IUPAC name of 2-bromo-9,10-dinaphthalen-2-ylanthracene (CID 22247157) is 2-bromo-9,10-dinaphthalen-2-ylanthracene.
What is the SMILES notation for 2-bromo-9,10-dinaphthalen-2-ylanthracene?
The canonical SMILES for 2-bromo-9,10-dinaphthalen-2-ylanthracene is Brc1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.
What is the InChIKey of 2-bromo-9,10-dinaphthalen-2-ylanthracene?
The InChIKey is NNVPXSAMRFIMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21Br/c35-28-17-18-31-32(21-28)34(27-16-14-23-8-2-4-10-25(23)20-27)30-12-6-5-11-29(30)33(31)26-15-13-22-7-1-3-9-24(22)19-26/h1-21H.
What are the key properties of 2-bromo-9,10-dinaphthalen-2-ylanthracene?
2-bromo-9,10-dinaphthalen-2-ylanthracene has a molecular weight of 509.45 g/mol, XLogP of 10.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,10-dinaphthalen-2-ylanthracene is sourced from PubChem (CID 22247157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).