bis[1-(4-methoxyphenyl)tetrazol-5-yl]methylidene-triphenyl-lambda5-phosphane

C35H29N8O2P — CID 15112704

IUPACbis[1-(4-methoxyphenyl)tetrazol-5-yl]methylidene-triphenyl-lambda5-phosphane
SMILESCOc1ccc(-n2nnnc2C(c2nnnn2-c2ccc(OC)cc2)=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H29N8O2P/c1-44-28-22-18-26(19-23-28)42-34(36-38-40-42)33(35-37-39-41-43(35)27-20-24-29(45-2)25-21-27)46(30-12-6-3-7-13-30,31-14-8-4-9-15-31)32-16-10-5-11-17-32/h3-25H,1-2H3
InChIKeyARSLRXGEHIKWSM-UHFFFAOYSA-N
MW624.65 g/mol
LogP4.22
Rot. Bonds9

About bis[1-(4-methoxyphenyl)tetrazol-5-yl]methylidene-triphenyl-lambda5-phosphane

bis[1-(4-methoxyphenyl)tetrazol-5-yl]methylidene-triphenyl-lambda5-phosphane (PubChem CID 15112704) has the molecular formula C35H29N8O2P and a molecular weight of 624.65 g/mol. Its IUPAC name is bis[1-(4-methoxyphenyl)tetrazol-5-yl]methylidene-triphenyl-lambda5-phosphane.

Molecular Properties

Compound Namebis[1-(4-methoxyphenyl)tetrazol-5-yl]methylidene-triphenyl-lambda5-phosphane
PubChem CID15112704
Molecular FormulaC35H29N8O2P
Molecular Weight624.65 g/mol
Exact Mass624.22
IUPAC Namebis[1-(4-methoxyphenyl)tetrazol-5-yl]methylidene-triphenyl-lambda5-phosphane
SMILESCOc1ccc(-n2nnnc2C(c2nnnn2-c2ccc(OC)cc2)=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H29N8O2P/c1-44-28-22-18-26(19-23-28)42-34(36-38-40-42)33(35-37-39-41-43(35)27-20-24-29(45-2)25-21-27)46(30-12-6-3-7-13-30,31-14-8-4-9-15-31)32-16-10-5-11-17-32/h3-25H,1-2H3
InChIKeyARSLRXGEHIKWSM-UHFFFAOYSA-N
XLogP4.22
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.65
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(3,4-dimethoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-1-(4-methoxyphenyl)tetrazole
CID 2946268
1-(4-methoxyphenyl)-5-(2-phenylethylsulfanyl)tetrazole
CID 112780708
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 51299112
1-[1-(4-methoxyphenyl)tetrazol-5-yl]propan-2-one
CID 166338434
(Z)-1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-methoxyphenyl)tetrazol-5-yl]but-3-en-2-one
CID 6391508
(2S)-N-benzyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-amine
CID 51697961
N-(2-bromophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine
CID 162646866
[1-(4-methoxyphenyl)tetrazol-5-yl]-[2-(1-phenyltetrazol-5-yl)ethoxy]methanol
CID 67826780
(2R)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 2618654
4-methoxy-N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline
CID 5378117
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-2-ylpropanamide
CID 18289109
4-[1-(4-methoxyphenyl)tetrazol-5-yl]aniline
CID 61353201

Frequently Asked Questions

What is the IUPAC name of bis[1-(4-methoxyphenyl)tetrazol-5-yl]methylidene-triphenyl-lambda5-phosphane?
The IUPAC name of bis[1-(4-methoxyphenyl)tetrazol-5-yl]methylidene-triphenyl-lambda5-phosphane (CID 15112704) is bis[1-(4-methoxyphenyl)tetrazol-5-yl]methylidene-triphenyl-lambda5-phosphane.
What is the SMILES notation for bis[1-(4-methoxyphenyl)tetrazol-5-yl]methylidene-triphenyl-lambda5-phosphane?
The canonical SMILES for bis[1-(4-methoxyphenyl)tetrazol-5-yl]methylidene-triphenyl-lambda5-phosphane is COc1ccc(-n2nnnc2C(c2nnnn2-c2ccc(OC)cc2)=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis[1-(4-methoxyphenyl)tetrazol-5-yl]methylidene-triphenyl-lambda5-phosphane?
The InChIKey is ARSLRXGEHIKWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N8O2P/c1-44-28-22-18-26(19-23-28)42-34(36-38-40-42)33(35-37-39-41-43(35)27-20-24-29(45-2)25-21-27)46(30-12-6-3-7-13-30,31-14-8-4-9-15-31)32-16-10-5-11-17-32/h3-25H,1-2H3.
What are the key properties of bis[1-(4-methoxyphenyl)tetrazol-5-yl]methylidene-triphenyl-lambda5-phosphane?
bis[1-(4-methoxyphenyl)tetrazol-5-yl]methylidene-triphenyl-lambda5-phosphane has a molecular weight of 624.65 g/mol, XLogP of 4.22, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-(4-methoxyphenyl)tetrazol-5-yl]methylidene-triphenyl-lambda5-phosphane is sourced from PubChem (CID 15112704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).