1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene

C26H16Br2 — CID 18454866

IUPAC1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene
SMILESBrc1cc(-c2cccc3ccccc23)c(Br)cc1-c1cccc2ccccc12
InChIInChI=1S/C26H16Br2/c27-25-16-24(22-14-6-10-18-8-2-4-12-20(18)22)26(28)15-23(25)21-13-5-9-17-7-1-3-11-19(17)21/h1-16H
InChIKeyKZYGCJREOHFDBV-UHFFFAOYSA-N
MW488.22 g/mol
LogP8.85
Rot. Bonds2

About 1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene

1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene (PubChem CID 18454866) has the molecular formula C26H16Br2 and a molecular weight of 488.22 g/mol. Its IUPAC name is 1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene.

Molecular Properties

Compound Name1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene
PubChem CID18454866
Molecular FormulaC26H16Br2
Molecular Weight488.22 g/mol
Exact Mass485.96
IUPAC Name1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene
SMILESBrc1cc(-c2cccc3ccccc23)c(Br)cc1-c1cccc2ccccc12
InChIInChI=1S/C26H16Br2/c27-25-16-24(22-14-6-10-18-8-2-4-12-20(18)22)26(28)15-23(25)21-13-5-9-17-7-1-3-11-19(17)21/h1-16H
InChIKeyKZYGCJREOHFDBV-UHFFFAOYSA-N
XLogP8.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.22
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

10-bromo-1,8-dinaphthalen-1-ylanthracene
CID 142748884
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
2-bromo-1-naphthalen-1-ylnaphthalene
CID 620109
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
9-(5-bromonaphthalen-1-yl)phenanthrene
CID 166985687

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene?
The IUPAC name of 1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene (CID 18454866) is 1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene.
What is the SMILES notation for 1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene?
The canonical SMILES for 1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene is Brc1cc(-c2cccc3ccccc23)c(Br)cc1-c1cccc2ccccc12.
What is the InChIKey of 1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene?
The InChIKey is KZYGCJREOHFDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Br2/c27-25-16-24(22-14-6-10-18-8-2-4-12-20(18)22)26(28)15-23(25)21-13-5-9-17-7-1-3-11-19(17)21/h1-16H.
What are the key properties of 1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene?
1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene has a molecular weight of 488.22 g/mol, XLogP of 8.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene is sourced from PubChem (CID 18454866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).