4-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]benzaldehyde

C30H21NO — CID 59800933

IUPAC4-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccn5)c4)c3)c2)cc1
InChIInChI=1S/C30H21NO/c32-21-22-13-15-23(16-14-22)24-6-3-7-25(18-24)26-8-4-9-27(19-26)28-10-5-11-29(20-28)30-12-1-2-17-31-30/h1-21H
InChIKeyBRLDXGAXTQTHPM-UHFFFAOYSA-N
MW411.50 g/mol
LogP7.56
Rot. Bonds5

About 4-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]benzaldehyde

4-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]benzaldehyde (PubChem CID 59800933) has the molecular formula C30H21NO and a molecular weight of 411.50 g/mol. Its IUPAC name is 4-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]benzaldehyde.

Molecular Properties

Compound Name4-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]benzaldehyde
PubChem CID59800933
Molecular FormulaC30H21NO
Molecular Weight411.50 g/mol
Exact Mass411.16
IUPAC Name4-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccn5)c4)c3)c2)cc1
InChIInChI=1S/C30H21NO/c32-21-22-13-15-23(16-14-22)24-6-3-7-25(18-24)26-8-4-9-27(19-26)28-10-5-11-29(20-28)30-12-1-2-17-31-30/h1-21H
InChIKeyBRLDXGAXTQTHPM-UHFFFAOYSA-N
XLogP7.56
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
CID 130326866
2-[3-(4-ethylphenyl)phenyl]pyridine
CID 151780746
4-[3-(4-formylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]benzaldehyde;iridium(3+);bis(2-phenylpyridine)
CID 59800879
4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]ethynyl]benzaldehyde
CID 102087871
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434547
2-fluoro-5-pyridin-2-ylbenzaldehyde
CID 63680969
trimethyl-[4-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]silane
CID 171056391
22-(3-pyridin-2-ylphenyl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene
CID 140920150
2-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]pyridine
CID 171056482
2,6-diphenyl-4-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine
CID 140587116

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]benzaldehyde?
The IUPAC name of 4-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]benzaldehyde (CID 59800933) is 4-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]benzaldehyde.
What is the SMILES notation for 4-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]benzaldehyde?
The canonical SMILES for 4-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]benzaldehyde is O=Cc1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccn5)c4)c3)c2)cc1.
What is the InChIKey of 4-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]benzaldehyde?
The InChIKey is BRLDXGAXTQTHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NO/c32-21-22-13-15-23(16-14-22)24-6-3-7-25(18-24)26-8-4-9-27(19-26)28-10-5-11-29(20-28)30-12-1-2-17-31-30/h1-21H.
What are the key properties of 4-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]benzaldehyde?
4-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]benzaldehyde has a molecular weight of 411.50 g/mol, XLogP of 7.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]benzaldehyde is sourced from PubChem (CID 59800933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).