4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-diethylaniline

C26H25N9 — CID 2886623

IUPAC4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C=C(c2nnnn2-c2ccccc2)c2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C26H25N9/c1-3-33(4-2)21-17-15-20(16-18-21)19-24(25-27-29-31-34(25)22-11-7-5-8-12-22)26-28-30-32-35(26)23-13-9-6-10-14-23/h5-19H,3-4H2,1-2H3
InChIKeyPDGPVPNCIQNQKH-UHFFFAOYSA-N
MW463.55 g/mol
LogP4.07
Rot. Bonds8

About 4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-diethylaniline

4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-diethylaniline (PubChem CID 2886623) has the molecular formula C26H25N9 and a molecular weight of 463.55 g/mol. Its IUPAC name is 4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-diethylaniline
PubChem CID2886623
Molecular FormulaC26H25N9
Molecular Weight463.55 g/mol
Exact Mass463.22
IUPAC Name4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C=C(c2nnnn2-c2ccccc2)c2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C26H25N9/c1-3-33(4-2)21-17-15-20(16-18-21)19-24(25-27-29-31-34(25)22-11-7-5-8-12-22)26-28-30-32-35(26)23-13-9-6-10-14-23/h5-19H,3-4H2,1-2H3
InChIKeyPDGPVPNCIQNQKH-UHFFFAOYSA-N
XLogP4.07
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline
CID 59935150
1-[ethyl-(1-phenyltetrazol-5-yl)amino]-2-methylpropan-2-ol
CID 79389793
1-(dimethylamino)-2-(1-phenyltetrazol-5-yl)hex-1-en-3-one
CID 3642835
3-[1-[4-(diethylamino)phenyl]tetrazol-5-yl]aniline
CID 94971698
5-[2-(3,4-dimethoxyphenyl)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-1-(4-methoxyphenyl)tetrazole
CID 2946268
N-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine
CID 63392081
5-amino-3-[(E)-1-cyano-2-[4-(diethylamino)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile
CID 92885741
4-[(Z)-2-[3-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline
CID 59935157
3-[ethyl-(1-phenyltetrazol-5-yl)amino]propanethioamide
CID 54992501
4-[2,2-bis(1,3-benzothiazol-2-yl)ethenyl]-N,N-diethylaniline
CID 3626172
4-[(Z)-2-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]-N,N-diethylaniline
CID 8727097
4-[1-(2,4-dimethylphenyl)-2-phenylethenyl]-N,N-diethylaniline
CID 67654741

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-diethylaniline?
The IUPAC name of 4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-diethylaniline (CID 2886623) is 4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-diethylaniline?
The canonical SMILES for 4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-diethylaniline is CCN(CC)c1ccc(C=C(c2nnnn2-c2ccccc2)c2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-diethylaniline?
The InChIKey is PDGPVPNCIQNQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N9/c1-3-33(4-2)21-17-15-20(16-18-21)19-24(25-27-29-31-34(25)22-11-7-5-8-12-22)26-28-30-32-35(26)23-13-9-6-10-14-23/h5-19H,3-4H2,1-2H3.
What are the key properties of 4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-diethylaniline?
4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-diethylaniline has a molecular weight of 463.55 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-diethylaniline is sourced from PubChem (CID 2886623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).