ethene;[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methanamine

C35H31N5 — CID 91247870

IUPACethene;[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methanamine
SMILESC=C.NCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H27N5.C2H4/c34-24-25-20-22-26(23-21-25)30-18-10-11-19-31(30)32-35-36-37-38(32)33(27-12-4-1-5-13-27,28-14-6-2-7-15-28)29-16-8-3-9-17-29;1-2/h1-23H,24,34H2;1-2H2
InChIKeyTUVFSFYWICYANF-UHFFFAOYSA-N
MW521.67 g/mol
LogP7.11
Rot. Bonds7

About ethene;[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methanamine

ethene;[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methanamine (PubChem CID 91247870) has the molecular formula C35H31N5 and a molecular weight of 521.67 g/mol. Its IUPAC name is ethene;[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Nameethene;[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methanamine
PubChem CID91247870
Molecular FormulaC35H31N5
Molecular Weight521.67 g/mol
Exact Mass521.26
IUPAC Nameethene;[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methanamine
SMILESC=C.NCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H27N5.C2H4/c34-24-25-20-22-26(23-21-25)30-18-10-11-19-31(30)32-35-36-37-38(32)33(27-12-4-1-5-13-27,28-14-6-2-7-15-28)29-16-8-3-9-17-29;1-2/h1-23H,24,34H2;1-2H2
InChIKeyTUVFSFYWICYANF-UHFFFAOYSA-N
XLogP7.11
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.67
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methanamine
CID 22172786
N-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]heptan-1-amine
CID 68851238
(1-trityltetrazol-5-yl)methanamine
CID 57355261
N-(1-aminopropan-2-yl)-N-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]butanamide
CID 77171600
(2S)-3-phenyl-2-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methylamino]propanoic acid
CID 139650872
[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl 1H-benzimidazole-4-carboxylate
CID 142713550
ethyl 2-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-1H-imidazole-5-carboxylate
CID 140986332
methyl 3-methyl-2-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methylamino]but-2-enoate
CID 71199611
3-oxo-2-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]hexanenitrile
CID 139626458
2-ethyl-6-propyl-1-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole
CID 19002213
7-chloro-2-ethyl-5-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole
CID 19002208
7-chloro-2-ethyl-1-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole
CID 19002220

Frequently Asked Questions

What is the IUPAC name of ethene;[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methanamine?
The IUPAC name of ethene;[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methanamine (CID 91247870) is ethene;[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methanamine.
What is the SMILES notation for ethene;[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methanamine?
The canonical SMILES for ethene;[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methanamine is C=C.NCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of ethene;[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methanamine?
The InChIKey is TUVFSFYWICYANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N5.C2H4/c34-24-25-20-22-26(23-21-25)30-18-10-11-19-31(30)32-35-36-37-38(32)33(27-12-4-1-5-13-27,28-14-6-2-7-15-28)29-16-8-3-9-17-29;1-2/h1-23H,24,34H2;1-2H2.
What are the key properties of ethene;[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methanamine?
ethene;[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methanamine has a molecular weight of 521.67 g/mol, XLogP of 7.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methanamine is sourced from PubChem (CID 91247870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).