3-[3-(1-bromonaphthalen-2-yl)naphthalen-2-yl]naphthalene-2-carbaldehyde

C31H19BrO — CID 162418644

IUPAC3-[3-(1-bromonaphthalen-2-yl)naphthalen-2-yl]naphthalene-2-carbaldehyde
SMILESO=Cc1cc2ccccc2cc1-c1cc2ccccc2cc1-c1ccc2ccccc2c1Br
InChIInChI=1S/C31H19BrO/c32-31-26-12-6-5-7-20(26)13-14-27(31)29-17-23-10-3-4-11-24(23)18-30(29)28-16-22-9-2-1-8-21(22)15-25(28)19-33/h1-19H
InChIKeyOWWRMJSCHQSUQN-UHFFFAOYSA-N
MW487.40 g/mol
LogP9.06
Rot. Bonds3

About 3-[3-(1-bromonaphthalen-2-yl)naphthalen-2-yl]naphthalene-2-carbaldehyde

3-[3-(1-bromonaphthalen-2-yl)naphthalen-2-yl]naphthalene-2-carbaldehyde (PubChem CID 162418644) has the molecular formula C31H19BrO and a molecular weight of 487.40 g/mol. Its IUPAC name is 3-[3-(1-bromonaphthalen-2-yl)naphthalen-2-yl]naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name3-[3-(1-bromonaphthalen-2-yl)naphthalen-2-yl]naphthalene-2-carbaldehyde
PubChem CID162418644
Molecular FormulaC31H19BrO
Molecular Weight487.40 g/mol
Exact Mass486.06
IUPAC Name3-[3-(1-bromonaphthalen-2-yl)naphthalen-2-yl]naphthalene-2-carbaldehyde
SMILESO=Cc1cc2ccccc2cc1-c1cc2ccccc2cc1-c1ccc2ccccc2c1Br
InChIInChI=1S/C31H19BrO/c32-31-26-12-6-5-7-20(26)13-14-27(31)29-17-23-10-3-4-11-24(23)18-30(29)28-16-22-9-2-1-8-21(22)15-25(28)19-33/h1-19H
InChIKeyOWWRMJSCHQSUQN-UHFFFAOYSA-N
XLogP9.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.40
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(1-bromonaphthalen-2-yl)naphthalen-2-ol;ethane
CID 145193800
3-bromo-4-hydroxynaphthalene-2-carbaldehyde
CID 141051977
2-[3,5-bis(1-bromonaphthalen-2-yl)phenyl]-1-bromonaphthalene
CID 71484457
phenanthrene-2,3-dicarbaldehyde
CID 10466547
1-bromo-2-phenylnaphthalene
CID 10956972
1-bromo-2-(difluoromethyl)naphthalene;1-bromonaphthalene-2-carbaldehyde
CID 161106897
5-methoxy-2-phenanthren-1-ylbenzaldehyde
CID 101454325
2-(2-bromophenyl)naphthalene-1-carbaldehyde
CID 102449578
naphthalene-1-carbaldehyde;zinc
CID 88790891
naphthalene-1-carbaldehyde;hydroiodide
CID 172736279
5-fluoro-2-(2-nitronaphthalen-1-yl)benzaldehyde
CID 102106645
3-methoxychrysene-5-carbaldehyde
CID 25194479

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-bromonaphthalen-2-yl)naphthalen-2-yl]naphthalene-2-carbaldehyde?
The IUPAC name of 3-[3-(1-bromonaphthalen-2-yl)naphthalen-2-yl]naphthalene-2-carbaldehyde (CID 162418644) is 3-[3-(1-bromonaphthalen-2-yl)naphthalen-2-yl]naphthalene-2-carbaldehyde.
What is the SMILES notation for 3-[3-(1-bromonaphthalen-2-yl)naphthalen-2-yl]naphthalene-2-carbaldehyde?
The canonical SMILES for 3-[3-(1-bromonaphthalen-2-yl)naphthalen-2-yl]naphthalene-2-carbaldehyde is O=Cc1cc2ccccc2cc1-c1cc2ccccc2cc1-c1ccc2ccccc2c1Br.
What is the InChIKey of 3-[3-(1-bromonaphthalen-2-yl)naphthalen-2-yl]naphthalene-2-carbaldehyde?
The InChIKey is OWWRMJSCHQSUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19BrO/c32-31-26-12-6-5-7-20(26)13-14-27(31)29-17-23-10-3-4-11-24(23)18-30(29)28-16-22-9-2-1-8-21(22)15-25(28)19-33/h1-19H.
What are the key properties of 3-[3-(1-bromonaphthalen-2-yl)naphthalen-2-yl]naphthalene-2-carbaldehyde?
3-[3-(1-bromonaphthalen-2-yl)naphthalen-2-yl]naphthalene-2-carbaldehyde has a molecular weight of 487.40 g/mol, XLogP of 9.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-bromonaphthalen-2-yl)naphthalen-2-yl]naphthalene-2-carbaldehyde is sourced from PubChem (CID 162418644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).