2-bromo-1-(2-bromonaphthalen-1-yl)naphthalene

C20H12Br2 — CID 619909

IUPAC2-bromo-1-(2-bromonaphthalen-1-yl)naphthalene
SMILESBrc1ccc2ccccc2c1-c1c(Br)ccc2ccccc12
InChIInChI=1S/C20H12Br2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12H
InChIKeyIJUDEFZBMMRSNM-UHFFFAOYSA-N
MW412.12 g/mol
LogP7.18
Rot. Bonds1

About 2-bromo-1-(2-bromonaphthalen-1-yl)naphthalene

2-bromo-1-(2-bromonaphthalen-1-yl)naphthalene (PubChem CID 619909) has the molecular formula C20H12Br2 and a molecular weight of 412.12 g/mol. Its IUPAC name is 2-bromo-1-(2-bromonaphthalen-1-yl)naphthalene.

Molecular Properties

Compound Name2-bromo-1-(2-bromonaphthalen-1-yl)naphthalene
PubChem CID619909
Molecular FormulaC20H12Br2
Molecular Weight412.12 g/mol
Exact Mass409.93
IUPAC Name2-bromo-1-(2-bromonaphthalen-1-yl)naphthalene
SMILESBrc1ccc2ccccc2c1-c1c(Br)ccc2ccccc12
InChIInChI=1S/C20H12Br2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12H
InChIKeyIJUDEFZBMMRSNM-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.12
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-bromonaphthalen-1-yl)naphthalene?
The IUPAC name of 2-bromo-1-(2-bromonaphthalen-1-yl)naphthalene (CID 619909) is 2-bromo-1-(2-bromonaphthalen-1-yl)naphthalene.
What is the SMILES notation for 2-bromo-1-(2-bromonaphthalen-1-yl)naphthalene?
The canonical SMILES for 2-bromo-1-(2-bromonaphthalen-1-yl)naphthalene is Brc1ccc2ccccc2c1-c1c(Br)ccc2ccccc12.
What is the InChIKey of 2-bromo-1-(2-bromonaphthalen-1-yl)naphthalene?
The InChIKey is IJUDEFZBMMRSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Br2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12H.
What are the key properties of 2-bromo-1-(2-bromonaphthalen-1-yl)naphthalene?
2-bromo-1-(2-bromonaphthalen-1-yl)naphthalene has a molecular weight of 412.12 g/mol, XLogP of 7.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-bromonaphthalen-1-yl)naphthalene is sourced from PubChem (CID 619909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).