8-bromo-5-[[bromo(triphenyl)-λ5-phosphanyl]methyl]quinoline-4-carbaldehyde

C29H22Br2NOP — CID 144965039

IUPAC8-bromo-5-[[bromo(triphenyl)-λ5-phosphanyl]methyl]quinoline-4-carbaldehyde
SMILESO=Cc1ccnc2c(Br)ccc(CP(Br)(c3ccccc3)(c3ccccc3)c3ccccc3)c12
InChIInChI=1S/C29H22Br2NOP/c30-27-17-16-23(28-22(20-33)18-19-32-29(27)28)21-34(31,24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-20H,21H2
InChIKeyXNWOJEWBBMLYDW-UHFFFAOYSA-N
MW591.28 g/mol
LogP7.15
Rot. Bonds6

About 8-bromo-5-[[bromo(triphenyl)-λ5-phosphanyl]methyl]quinoline-4-carbaldehyde

8-bromo-5-[[bromo(triphenyl)-λ5-phosphanyl]methyl]quinoline-4-carbaldehyde (PubChem CID 144965039) has the molecular formula C29H22Br2NOP and a molecular weight of 591.28 g/mol. Its IUPAC name is 8-bromo-5-[[bromo(triphenyl)-λ5-phosphanyl]methyl]quinoline-4-carbaldehyde.

Molecular Properties

Compound Name8-bromo-5-[[bromo(triphenyl)-λ5-phosphanyl]methyl]quinoline-4-carbaldehyde
PubChem CID144965039
Molecular FormulaC29H22Br2NOP
Molecular Weight591.28 g/mol
Exact Mass588.98
IUPAC Name8-bromo-5-[[bromo(triphenyl)-λ5-phosphanyl]methyl]quinoline-4-carbaldehyde
SMILESO=Cc1ccnc2c(Br)ccc(CP(Br)(c3ccccc3)(c3ccccc3)c3ccccc3)c12
InChIInChI=1S/C29H22Br2NOP/c30-27-17-16-23(28-22(20-33)18-19-32-29(27)28)21-34(31,24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-20H,21H2
InChIKeyXNWOJEWBBMLYDW-UHFFFAOYSA-N
XLogP7.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.28
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-Bromoquinoline-4-carbaldehyde
CID 46835719
5-Bromo-8-(3-fluorophenyl)quinoline-7-carbaldehyde
CID 58368654
2-[1-(6-Bromoquinolin-4-yl)piperidin-4-yl]-4-fluorobenzaldehyde
CID 87584568
2,7-Dibromo-4,5-bis(2-pyridyl)-phenanthrene-3,6-dial
CID 129655649
6-Bromo-(p-bromophenyl)-4-formylquinolinium perchlorate
CID 129785392
(4-Bromophenyl)-(3-bromoquinolin-4-yl)methanone
CID 135027336
(2R)-2-(5-bromoquinolin-8-yl)-1,2-diphenylethanone
CID 139093803
(R)-3,4-bis(4-bromophenyl)-2-(7-methylquinolin-8-yl)isoquinolin-1(2H)-one
CID 164511168
(R)-6-bromo-2-(7-methylquinolin-8-yl)-3,4-diphenylisoquinolin-1(2H)-one
CID 164511189
3-(4-Bromophenyl)-2-quinolin-8-ylisoquinolin-1-one
CID 164674953
1-(4-Bromophenyl)-4-quinolin-8-ylbutan-1-one
CID 176430036
1-(4-Bromophenyl)-4-(7-methylquinolin-8-yl)butan-1-one
CID 176430039

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-[[bromo(triphenyl)-λ5-phosphanyl]methyl]quinoline-4-carbaldehyde?
The IUPAC name of 8-bromo-5-[[bromo(triphenyl)-λ5-phosphanyl]methyl]quinoline-4-carbaldehyde (CID 144965039) is 8-bromo-5-[[bromo(triphenyl)-λ5-phosphanyl]methyl]quinoline-4-carbaldehyde.
What is the SMILES notation for 8-bromo-5-[[bromo(triphenyl)-λ5-phosphanyl]methyl]quinoline-4-carbaldehyde?
The canonical SMILES for 8-bromo-5-[[bromo(triphenyl)-λ5-phosphanyl]methyl]quinoline-4-carbaldehyde is O=Cc1ccnc2c(Br)ccc(CP(Br)(c3ccccc3)(c3ccccc3)c3ccccc3)c12.
What is the InChIKey of 8-bromo-5-[[bromo(triphenyl)-λ5-phosphanyl]methyl]quinoline-4-carbaldehyde?
The InChIKey is XNWOJEWBBMLYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22Br2NOP/c30-27-17-16-23(28-22(20-33)18-19-32-29(27)28)21-34(31,24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-20H,21H2.
What are the key properties of 8-bromo-5-[[bromo(triphenyl)-λ5-phosphanyl]methyl]quinoline-4-carbaldehyde?
8-bromo-5-[[bromo(triphenyl)-λ5-phosphanyl]methyl]quinoline-4-carbaldehyde has a molecular weight of 591.28 g/mol, XLogP of 7.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-[[bromo(triphenyl)-λ5-phosphanyl]methyl]quinoline-4-carbaldehyde is sourced from PubChem (CID 144965039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).