[5-[6-[6-(2-formylphosphanyl-1H-imidazol-5-yl)-5-methylnaphthalen-2-yl]naphthalen-2-yl]-1H-imidazol-2-yl]phosphanylformaldehyde

C29H22N4O2P2 — CID 59610200

IUPAC[5-[6-[6-(2-formylphosphanyl-1H-imidazol-5-yl)-5-methylnaphthalen-2-yl]naphthalen-2-yl]-1H-imidazol-2-yl]phosphanylformaldehyde
SMILESCc1c(-c2cnc(PC=O)[nH]2)ccc2cc(-c3ccc4cc(-c5cnc(PC=O)[nH]5)ccc4c3)ccc12
InChIInChI=1S/C29H22N4O2P2/c1-17-24-8-6-21(11-22(24)7-9-25(17)27-14-31-29(33-27)37-16-35)18-2-3-20-12-23(5-4-19(20)10-18)26-13-30-28(32-26)36-15-34/h2-16,36-37H,1H3,(H,30,32)(H,31,33)
InChIKeyVQPFNWHXTYRUJY-UHFFFAOYSA-N
MW520.47 g/mol
LogP5.74
Rot. Bonds7

About [5-[6-[6-(2-formylphosphanyl-1H-imidazol-5-yl)-5-methylnaphthalen-2-yl]naphthalen-2-yl]-1H-imidazol-2-yl]phosphanylformaldehyde

[5-[6-[6-(2-formylphosphanyl-1H-imidazol-5-yl)-5-methylnaphthalen-2-yl]naphthalen-2-yl]-1H-imidazol-2-yl]phosphanylformaldehyde (PubChem CID 59610200) has the molecular formula C29H22N4O2P2 and a molecular weight of 520.47 g/mol. Its IUPAC name is [5-[6-[6-(2-formylphosphanyl-1H-imidazol-5-yl)-5-methylnaphthalen-2-yl]naphthalen-2-yl]-1H-imidazol-2-yl]phosphanylformaldehyde.

Molecular Properties

Compound Name[5-[6-[6-(2-formylphosphanyl-1H-imidazol-5-yl)-5-methylnaphthalen-2-yl]naphthalen-2-yl]-1H-imidazol-2-yl]phosphanylformaldehyde
PubChem CID59610200
Molecular FormulaC29H22N4O2P2
Molecular Weight520.47 g/mol
Exact Mass520.12
IUPAC Name[5-[6-[6-(2-formylphosphanyl-1H-imidazol-5-yl)-5-methylnaphthalen-2-yl]naphthalen-2-yl]-1H-imidazol-2-yl]phosphanylformaldehyde
SMILESCc1c(-c2cnc(PC=O)[nH]2)ccc2cc(-c3ccc4cc(-c5cnc(PC=O)[nH]5)ccc4c3)ccc12
InChIInChI=1S/C29H22N4O2P2/c1-17-24-8-6-21(11-22(24)7-9-25(17)27-14-31-29(33-27)37-16-35)18-2-3-20-12-23(5-4-19(20)10-18)26-13-30-28(32-26)36-15-34/h2-16,36-37H,1H3,(H,30,32)(H,31,33)
InChIKeyVQPFNWHXTYRUJY-UHFFFAOYSA-N
XLogP5.74
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.47
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-[7-(2-formylphosphanyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-1H-imidazol-2-yl]phosphanylformaldehyde
CID 59610149
[7-[7-(2-formylphosphanyl-1H-imidazol-5-yl)-9,10-dihydrophenanthren-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylformaldehyde
CID 158721731
1-[[5-[2-(2-methylphosphanyl-3H-benzimidazol-5-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazol-2-yl]phosphanyl]ethanone
CID 134422053
2-chloro-5-(6-methylnaphthalen-2-yl)-1H-imidazole
CID 116884464
5-(6-methylnaphthalen-2-yl)-1H-imidazole-2-carboxylic acid
CID 116878561
1-[[6-[7-(2-acetylphosphanyl-1H-imidazol-5-yl)-9,9-difluorofluoren-2-yl]-1H-benzimidazol-2-yl]phosphanyl]ethanone
CID 134421971
N-methyl-5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-amine
CID 116879529
methoxycarbonylazanide;[6-[18-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-12-oxapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,15(20),16,18,21-decaen-7-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))
CID 59610480
2-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]acetonitrile
CID 116880093
[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]methanethiol
CID 116879256
[7-[2-(2-formylphosphanyl-1H-imidazol-5-yl)ethynyl]-10,11-dihydro-1H-naphtho[2,1-e]benzimidazol-2-yl]phosphanylformaldehyde
CID 158475203
methoxycarbonylazanide;[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-18,20-diazahexacyclo[12.11.0.02,11.05,10.016,24.017,21]pentacosa-1(14),2(11),3,5(10),6,8,15,17(21),18,24-decaen-19-yl]phosphanylmethanone;bis(vanadium(2+))
CID 59611386

Frequently Asked Questions

What is the IUPAC name of [5-[6-[6-(2-formylphosphanyl-1H-imidazol-5-yl)-5-methylnaphthalen-2-yl]naphthalen-2-yl]-1H-imidazol-2-yl]phosphanylformaldehyde?
The IUPAC name of [5-[6-[6-(2-formylphosphanyl-1H-imidazol-5-yl)-5-methylnaphthalen-2-yl]naphthalen-2-yl]-1H-imidazol-2-yl]phosphanylformaldehyde (CID 59610200) is [5-[6-[6-(2-formylphosphanyl-1H-imidazol-5-yl)-5-methylnaphthalen-2-yl]naphthalen-2-yl]-1H-imidazol-2-yl]phosphanylformaldehyde.
What is the SMILES notation for [5-[6-[6-(2-formylphosphanyl-1H-imidazol-5-yl)-5-methylnaphthalen-2-yl]naphthalen-2-yl]-1H-imidazol-2-yl]phosphanylformaldehyde?
The canonical SMILES for [5-[6-[6-(2-formylphosphanyl-1H-imidazol-5-yl)-5-methylnaphthalen-2-yl]naphthalen-2-yl]-1H-imidazol-2-yl]phosphanylformaldehyde is Cc1c(-c2cnc(PC=O)[nH]2)ccc2cc(-c3ccc4cc(-c5cnc(PC=O)[nH]5)ccc4c3)ccc12.
What is the InChIKey of [5-[6-[6-(2-formylphosphanyl-1H-imidazol-5-yl)-5-methylnaphthalen-2-yl]naphthalen-2-yl]-1H-imidazol-2-yl]phosphanylformaldehyde?
The InChIKey is VQPFNWHXTYRUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N4O2P2/c1-17-24-8-6-21(11-22(24)7-9-25(17)27-14-31-29(33-27)37-16-35)18-2-3-20-12-23(5-4-19(20)10-18)26-13-30-28(32-26)36-15-34/h2-16,36-37H,1H3,(H,30,32)(H,31,33).
What are the key properties of [5-[6-[6-(2-formylphosphanyl-1H-imidazol-5-yl)-5-methylnaphthalen-2-yl]naphthalen-2-yl]-1H-imidazol-2-yl]phosphanylformaldehyde?
[5-[6-[6-(2-formylphosphanyl-1H-imidazol-5-yl)-5-methylnaphthalen-2-yl]naphthalen-2-yl]-1H-imidazol-2-yl]phosphanylformaldehyde has a molecular weight of 520.47 g/mol, XLogP of 5.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[6-[6-(2-formylphosphanyl-1H-imidazol-5-yl)-5-methylnaphthalen-2-yl]naphthalen-2-yl]-1H-imidazol-2-yl]phosphanylformaldehyde is sourced from PubChem (CID 59610200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).