10-bromo-1,8-dinaphthalen-1-ylanthracene

C34H21Br — CID 142748884

IUPAC10-bromo-1,8-dinaphthalen-1-ylanthracene
SMILESBrc1c2cccc(-c3cccc4ccccc34)c2cc2c(-c3cccc4ccccc34)cccc12
InChIInChI=1S/C34H21Br/c35-34-30-19-7-17-28(26-15-5-11-22-9-1-3-13-24(22)26)32(30)21-33-29(18-8-20-31(33)34)27-16-6-12-23-10-2-4-14-25(23)27/h1-21H
InChIKeyQBOLUDZDMKBHRF-UHFFFAOYSA-N
MW509.45 g/mol
LogP10.40
Rot. Bonds2

About 10-bromo-1,8-dinaphthalen-1-ylanthracene

10-bromo-1,8-dinaphthalen-1-ylanthracene (PubChem CID 142748884) has the molecular formula C34H21Br and a molecular weight of 509.45 g/mol. Its IUPAC name is 10-bromo-1,8-dinaphthalen-1-ylanthracene.

Molecular Properties

Compound Name10-bromo-1,8-dinaphthalen-1-ylanthracene
PubChem CID142748884
Molecular FormulaC34H21Br
Molecular Weight509.45 g/mol
Exact Mass508.08
IUPAC Name10-bromo-1,8-dinaphthalen-1-ylanthracene
SMILESBrc1c2cccc(-c3cccc4ccccc34)c2cc2c(-c3cccc4ccccc34)cccc12
InChIInChI=1S/C34H21Br/c35-34-30-19-7-17-28(26-15-5-11-22-9-1-3-13-24(22)26)32(30)21-33-29(18-8-20-31(33)34)27-16-6-12-23-10-2-4-14-25(23)27/h1-21H
InChIKeyQBOLUDZDMKBHRF-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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Related Compounds

1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene
CID 18454866
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
9-naphthalen-1-ylphenanthrene
CID 20606742
1,10-dinaphthalen-1-ylanthracene
CID 58645117
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene
CID 161163612

Frequently Asked Questions

What is the IUPAC name of 10-bromo-1,8-dinaphthalen-1-ylanthracene?
The IUPAC name of 10-bromo-1,8-dinaphthalen-1-ylanthracene (CID 142748884) is 10-bromo-1,8-dinaphthalen-1-ylanthracene.
What is the SMILES notation for 10-bromo-1,8-dinaphthalen-1-ylanthracene?
The canonical SMILES for 10-bromo-1,8-dinaphthalen-1-ylanthracene is Brc1c2cccc(-c3cccc4ccccc34)c2cc2c(-c3cccc4ccccc34)cccc12.
What is the InChIKey of 10-bromo-1,8-dinaphthalen-1-ylanthracene?
The InChIKey is QBOLUDZDMKBHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21Br/c35-34-30-19-7-17-28(26-15-5-11-22-9-1-3-13-24(22)26)32(30)21-33-29(18-8-20-31(33)34)27-16-6-12-23-10-2-4-14-25(23)27/h1-21H.
What are the key properties of 10-bromo-1,8-dinaphthalen-1-ylanthracene?
10-bromo-1,8-dinaphthalen-1-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 10-bromo-1,8-dinaphthalen-1-ylanthracene is sourced from PubChem (CID 142748884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).