3,4-bis(4-bromophenyl)-2,7-dimethoxynaphthalene-1,8-dicarbaldehyde

C26H18Br2O4 — CID 91174608

IUPAC3,4-bis(4-bromophenyl)-2,7-dimethoxynaphthalene-1,8-dicarbaldehyde
SMILESCOc1ccc2c(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)c(OC)c(C=O)c2c1C=O
InChIInChI=1S/C26H18Br2O4/c1-31-22-12-11-19-23(15-3-7-17(27)8-4-15)24(16-5-9-18(28)10-6-16)26(32-2)21(14-30)25(19)20(22)13-29/h3-14H,1-2H3
InChIKeyYZLIXUIDWPPJNX-UHFFFAOYSA-N
MW554.23 g/mol
LogP7.34
Rot. Bonds6

About 3,4-bis(4-bromophenyl)-2,7-dimethoxynaphthalene-1,8-dicarbaldehyde

3,4-bis(4-bromophenyl)-2,7-dimethoxynaphthalene-1,8-dicarbaldehyde (PubChem CID 91174608) has the molecular formula C26H18Br2O4 and a molecular weight of 554.23 g/mol. Its IUPAC name is 3,4-bis(4-bromophenyl)-2,7-dimethoxynaphthalene-1,8-dicarbaldehyde.

Molecular Properties

Compound Name3,4-bis(4-bromophenyl)-2,7-dimethoxynaphthalene-1,8-dicarbaldehyde
PubChem CID91174608
Molecular FormulaC26H18Br2O4
Molecular Weight554.23 g/mol
Exact Mass551.96
IUPAC Name3,4-bis(4-bromophenyl)-2,7-dimethoxynaphthalene-1,8-dicarbaldehyde
SMILESCOc1ccc2c(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)c(OC)c(C=O)c2c1C=O
InChIInChI=1S/C26H18Br2O4/c1-31-22-12-11-19-23(15-3-7-17(27)8-4-15)24(16-5-9-18(28)10-6-16)26(32-2)21(14-30)25(19)20(22)13-29/h3-14H,1-2H3
InChIKeyYZLIXUIDWPPJNX-UHFFFAOYSA-N
XLogP7.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.23
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3,6-dimethoxybenzaldehyde
CID 11356987
3-(4-bromophenyl)-2,4-dimethoxyaniline
CID 174856580
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
4-(1,3,5,6-tetramethoxy-9-oxoxanthen-4-yl)benzaldehyde
CID 73357056
3-chloro-2,6-dimethoxybenzaldehyde
CID 15414486
4-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde
CID 101191767
4-methoxy-2-naphthalen-2-ylbenzene-1,3-dicarbaldehyde
CID 175432484
9-(4-bromophenyl)-10-methoxyanthracene
CID 178067918
4-(4-bromophenyl)-1,2-dimethoxybenzene
CID 83666365
6-chloro-2,3-dimethoxybenzaldehyde
CID 19389247
3-acetyl-2-bromo-6-methoxybenzaldehyde
CID 171009224
2,6-dimethoxynaphthalene-1-carbaldehyde
CID 12583354

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-bromophenyl)-2,7-dimethoxynaphthalene-1,8-dicarbaldehyde?
The IUPAC name of 3,4-bis(4-bromophenyl)-2,7-dimethoxynaphthalene-1,8-dicarbaldehyde (CID 91174608) is 3,4-bis(4-bromophenyl)-2,7-dimethoxynaphthalene-1,8-dicarbaldehyde.
What is the SMILES notation for 3,4-bis(4-bromophenyl)-2,7-dimethoxynaphthalene-1,8-dicarbaldehyde?
The canonical SMILES for 3,4-bis(4-bromophenyl)-2,7-dimethoxynaphthalene-1,8-dicarbaldehyde is COc1ccc2c(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)c(OC)c(C=O)c2c1C=O.
What is the InChIKey of 3,4-bis(4-bromophenyl)-2,7-dimethoxynaphthalene-1,8-dicarbaldehyde?
The InChIKey is YZLIXUIDWPPJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Br2O4/c1-31-22-12-11-19-23(15-3-7-17(27)8-4-15)24(16-5-9-18(28)10-6-16)26(32-2)21(14-30)25(19)20(22)13-29/h3-14H,1-2H3.
What are the key properties of 3,4-bis(4-bromophenyl)-2,7-dimethoxynaphthalene-1,8-dicarbaldehyde?
3,4-bis(4-bromophenyl)-2,7-dimethoxynaphthalene-1,8-dicarbaldehyde has a molecular weight of 554.23 g/mol, XLogP of 7.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-bromophenyl)-2,7-dimethoxynaphthalene-1,8-dicarbaldehyde is sourced from PubChem (CID 91174608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).